input word = C00041928

Metabolite InformationStructural formula
Name Topsentisterol B4
Formula C28H44O3
Mw 428.32904527
CAS RN 918119-88-7
C_ID C00041928 ,
InChIKey PCIZFQVDNDHRPP-YEWDWVLKNA-N
InChICode InChI=1S/C28H44O3/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27)25(31-28)24(23)30/h7-8,16-21,24-25,29-30H,9-15H2,1-6H3/b8-7+/t17-,18+,19+,20-,21+,24+,25+,26-,27-,28+/m1/s1
SMILES CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@]12O[C@H]2[C@H]3O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaHalichondriidaeTopsentia sp. Ref.
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