Ketcher 06061615022D 1 1.00000 0.00000 0 33 38 0 1 0 999 V2000 9.7035 -3.7693 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.1011 -2.9660 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.8982 -5.3190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9550 -1.3677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6974 -5.5219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8983 -4.0209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0116 -2.8119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4479 -0.8565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8536 -7.0228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0544 -3.8180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7502 -2.8200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0544 -2.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7502 -3.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8982 -4.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9550 -2.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1539 -4.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7562 -2.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0970 -2.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6507 -4.1669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4966 -3.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3079 -3.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8536 -5.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1376 -1.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4987 -3.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2652 -3.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0017 -5.4731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0624 -1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1011 -5.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9224 -1.8139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6974 -6.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5980 -7.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0490 -1.8127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8610 -4.7766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 12 1 1 6 0 0 13 2 1 6 0 0 3 14 2 0 0 0 4 15 2 0 0 0 22 5 1 1 0 0 5 30 1 0 0 0 6 24 1 0 0 0 6 28 1 0 0 0 7 25 1 0 0 0 7 29 1 0 0 0 23 8 1 1 0 0 9 30 2 0 0 0 10 12 1 0 0 0 10 14 1 0 0 0 10 16 1 0 0 0 11 13 1 0 0 0 11 15 1 0 0 0 11 17 1 0 0 0 12 15 1 0 0 0 12 18 1 0 0 0 13 14 1 0 0 0 13 19 1 0 0 0 16 20 1 0 0 0 16 22 1 0 0 0 17 21 1 0 0 0 17 23 1 0 0 0 18 20 1 0 0 0 19 21 1 0 0 0 20 24 2 0 0 0 21 25 2 0 0 0 22 26 1 0 0 0 23 27 1 0 0 0 26 28 2 0 0 0 27 29 2 0 0 0 30 31 1 0 0 0 17 32 1 1 0 0 16 33 1 1 0 0 M END > CHEBI:88274 > aranotin > An organic heterohexacyclic compound with antiviral and antibiotic properties that is isolated from Amauroascus aureus. > 3 > Lilly 53185; L 53185; Ariotin; Antibiotic A 21101-III > (5S,5aS,7aR,13S,13aS,15aR)-13-hydroxy-7,15-dioxo-5,5a,13,13a-tetrahydro-7H,8H,15H,16H-7a,15a-epidithiobisoxepino[3',4':4,5]pyrrolo[1,2-a:1',2'-d]pyrazin-5-yl acetate > aranotinum; aranotine; aranotina; aranotin > C20H18N2O7S2 > 462.499 > 462.05554 > 0 > S1S[C@@]23N(C(=O)[C@]14N(C2=O)[C@]5(C(C4)=COC=C[C@@H]5OC(=O)C)[H])[C@]6(C(C3)=COC=C[C@@H]6O)[H] > InChI=1S/C20H18N2O7S2/c1-10(23)29-14-3-5-28-9-12-7-20-17(25)21-15-11(8-27-4-2-13(15)24)6-19(21,30-31-20)18(26)22(20)16(12)14/h2-5,8-9,13-16,24H,6-7H2,1H3/t13-,14-,15-,16-,19+,20+/m0/s1 > HXWOWBFXYUFFKS-PSJNWGMYSA-N > 3042102 > 19885-51-9 > 5421449 > 19885-51-9 > D02974 > C00025534 > 20809554; 4637543; 4645597; 4645598; 4698552; 4721259; 5682450; 5735362 $$$$