input word = C00041923

Metabolite InformationStructural formula
Name Topsentisterol A2
Formula C29H48O3
Mw 444.3603454
CAS RN 918119-78-5
C_ID C00041923 ,
InChIKey ZCQZIDOFCDVBNA-WDTQPNHXNA-N
InChICode InChI=1S/C29H48O3/c1-18(2)21(5)19(3)16-20(4)23-8-9-24-26(23,6)12-11-25-27(7)13-10-22(30)17-28(27)14-15-29(24,25)32-31-28/h14-15,18-25,30H,8-13,16-17H2,1-7H3/t19-,20+,21+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1
SMILES CC(C)[C@@H](C)[C@@H](C)C[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@]23C=C[C@]2(C[C@@H](O)CC[C@]12C)OO3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaHalichondriidaeTopsentia sp. Ref.
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