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 C1[C@H]2[C@H]([C@H]3[C@](C1)([C@H](CC3)[C@H](C)CC[C@H]([C@@H]1C[C@H]1C)C)C)[C@@H]([C@H]1[C@@]3([C@@]2(CC[C@@H](C3)O)C)O1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaHalichondriidaeTopsentia sp. Ref.
zoom in