input word = C00041933

Metabolite InformationStructural formula
Name Topsentisterol C4
(+)-Topsentisterol C4
Formula C29H48O3
Mw 444.3603454
CAS RN 918119-98-9
C_ID C00041933 ,
InChIKey XBQGUBDBOJFWAO-LKIASOFBNA-N
InChICode InChI=1S/C29H48O3/c1-17(21-14-19(21)3)6-7-18(2)23-8-9-24-22-15-26(31)29(32)16-20(30)10-13-28(29,5)25(22)11-12-27(23,24)4/h15,17-21,23-26,30-32H,6-14,16H2,1-5H3/t17-,18-,19-,20+,21+,23-,24+,25+,26-,27-,28-,29+/m1/s1
SMILES C[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(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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