InChI=1S/C44H68O13S/c1- 24(32- 23- 41(6) 38(58- 41) 44(55- 32) 33(46) 12- 11- 29(54- 44) 22- 40(5,50) 39(48) 49) 9- 10- 28- 14- 18- 43(53- 28) 19- 15- 31- 37(57- 43) 34(47) 27(4) 36(52- 31) 30(45) 21- 26(3) 35- 25(2) 13- 17- 42(56- 35) 16- 7- 8- 20- 51- 42/h9- 10,24- 26,28- 38,45- 47,50H,4,7- 8,11- 23H2,1- 3,5- 6H3,(H,48,49) /b10- 9+/t24- ,25- ,26+,28+,29+,30?,31- ,32+,33- ,34- ,35+,36+,37- ,38- ,40- ,41- ,42+,43- ,44+/m1/s1 |
PBZVIYIWLYRXNM-ZGRMKTROSA-N |
S1[C@@] 2(C[C@@H] ([C@@H] (/C=C/[C@@H] 3O[C@@] 4(O[C@H] 5[C@H] (O) C(=C) [C@@H] (C(O) C[C@@H] ([C@H] 6O[C@] 7(OCCCC7) CC[C@H] 6C) C) O[C@@H] 5CC4) CC3) C) O[C@@] 8([C@H] 12) O[C@@H] (CC[C@H] 8O) C[C@@] (O) (C(=O) O) C) C |
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Mus musculus
(NCBI:txid10090)
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Found in
liver
(BTO:0000759).
of strain
BALB/c [EFO:0000602]
See:
MetaboLights Study
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(2R)- 3- [(1S,2S,2'S,4S,5'R,6R)- 4- [(E,2R)- 4- [(2S,2'R,4R,4aS,6R,8aR)- 4- hydroxy- 2- [(3S)- 1- hydroxy- 3- [(2S,3R,6S)- 3- methyl- 1,7- dioxaspiro[5.5]undecan- 2- yl]butyl]- 3- methylidenespiro[4a,7,8,8a- tetrahydro- 4H- pyrano[3,2- b]pyran- 6,5'- oxolane]- 2'- yl]but- 3- en- 2- yl]- 5'- hydroxy- 6- methylspiro[3- oxa- 7- thiabicyclo[4.1.0]heptane- 2,6'- oxane]- 2'- yl]- 2- hydroxy- 2- methylpropanoic acid
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