input word = C00041925

Metabolite InformationStructural formula
Name Topsentisterol B1
(-)-Topsentisterol B1
Formula C29H46O3
Mw 442.34469533
CAS RN 918119-82-1
C_ID C00041925 ,
InChIKey JHWWAUUSEPEHFV-HPJORSCNNA-N
InChICode InChI=1S/C29H46O3/c1-16(20-14-18(20)3)6-7-17(2)21-8-9-22-24-23(11-12-27(21,22)4)28(5)13-10-19(30)15-29(28)26(32-29)25(24)31/h16-22,25-26,30-31H,6-15H2,1-5H3/t16-,17-,18-,19+,20+,21-,22+,25+,26+,27-,28-,29+/m1/s1
SMILES C[C@H](CC[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)[C@@H]1C[C@H]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaHalichondriidaeTopsentia sp. Ref.
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