input word = C00041937

Metabolite InformationStructural formula
Name Topsentisterol E1
Formula C28H42O2
Mw 410.31848058
CAS RN 918120-06-6
C_ID C00041937 ,
InChIKey PWOLTSTXQZMPQX-PESZVSCQNA-N
InChICode InChI=1S/C28H42O2/c1-16(2)17(3)7-8-18(4)24-11-12-25-23-13-20-9-10-21(29)14-22(20)19(5)27(23)26(30)15-28(24,25)6/h7-8,13,16-18,21,24-26,29-30H,9-12,14-15H2,1-6H3/b8-7+/t17-,18+,21+,24-,25+,26-,28-/m1/s1
SMILES Cc1c2c(cc3c1[C@H](O)C[C@]1(C)[C@@H]([C@H](C)/C=C/C(C)C(C)C)CC[C@@H]31)CC[C@H](O)C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaHalichondriidaeTopsentia sp. Ref.
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