Ketcher 02051912242D 1 1.00000 0.00000 0 41 41 0 0 0 999 V2000 13.3863 -19.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2538 -18.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1212 -19.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9886 -18.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8562 -19.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7235 -18.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5910 -19.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4584 -18.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3258 -19.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1932 -18.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0607 -19.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9282 -18.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7955 -19.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6630 -18.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5304 -19.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3977 -18.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2652 -19.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1326 -18.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0001 -19.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8676 -18.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7349 -19.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.6023 -18.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.4698 -19.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.3372 -18.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2047 -19.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0388 -18.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9886 -17.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4584 -17.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2652 -20.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7349 -20.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2047 -20.0645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5182 -18.5589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6502 -19.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6472 -20.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5153 -20.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3834 -20.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2186 -17.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8178 -17.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2480 -20.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7915 -20.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.1706 -19.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 17 18 1 0 0 0 18 19 2 0 0 0 19 20 1 0 0 0 20 21 2 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 4 27 1 0 0 0 8 28 1 0 0 0 17 29 1 0 0 0 21 30 1 0 0 0 25 31 1 0 0 0 1 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 1 36 2 0 0 0 32 37 1 0 0 0 32 38 1 0 0 0 36 39 1 0 0 0 13 40 1 0 0 0 25 41 1 0 0 0 M END > CHEBI:80134 > 1'-hydroxytorulene > A carotenol that is (3'E)-3',4'-didehydro-1',2'-dihydro-β,ψ-carotene which carries a hydroxy group at position 1'. > 3 > myxocoxanthin; 3',4'-didehydro-1',2'-dihydro-beta,psi-caroten-1'-ol; 1'-OH-torulene; 1'-hydroxytorulene; 1',2'-dihydro-1'-hydroxytorulene > (3'E)-3',4'-didehydro-1',2'-dihydro-beta,psi-caroten-1'-ol > C40H56O > 552.874 > 552.43312 > 0 > C=1(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/C=C/CC(C)(O)C)\C)\C)\C)/C)/C)C(CCCC1C)(C)C > InChI=1S/C40H56O/c1-32(20-13-22-34(3)23-14-24-35(4)26-16-31-40(9,10)41)18-11-12-19-33(2)21-15-25-36(5)28-29-38-37(6)27-17-30-39(38,7)8/h11-16,18-26,28-29,41H,17,27,30-31H2,1-10H3/b12-11+,20-13+,21-15+,23-14+,26-16+,29-28+,32-18+,33-19+,34-22+,35-24+,36-25+ > JLURGIFQNZBRAB-CJXMTMHDSA-N > 59122-37-1 > C15860 > C00022845 > CPD-17309 > 1158846; 15251462; 19304845 $$$$