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 C1[C@H]2C(=C[C@H]([C@@]3([C@@]2(CC[C@@H](C3)O)C)O)O)[C@H]2[C@](C1)([C@H](CC2)[C@H](C)CC[C@H]([C@@H]1C[C@H]1C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaHalichondriidaeTopsentia sp. Ref.
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