input word = C00041927

Metabolite InformationStructural formula
Name Topsentisterol B3
Formula C29H46O3
Mw 442.34469533
CAS RN 918119-86-5
C_ID C00041927 ,
InChIKey VSGVYISQCNUCFI-QGLBHWCANA-N
InChICode InChI=1S/C29H48O3/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/h16-26,30-31H,6-15H2,1-5H3/t16-,17-,18-,19+,20+,21-,22+,23+,24+,25+,26+,27-,28-,29+/m1/s1
SMILES C[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3[C@H](O)[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)[C@@H]1C[C@H]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaHalichondriidaeTopsentia sp. Ref.
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