input word = C00041932

Metabolite InformationStructural formula
Name Topsentisterol C3
Formula C29H48O4
Mw 460.35526002
CAS RN 918119-96-7
C_ID C00041932 ,
InChIKey ZHBXGHWSDHVEKS-QFPUMZBHNA-N
InChICode InChI=1S/C29H48O4/c1-18(2)19(3)8-9-20(4)22-10-11-23-24-16-25(33-7)29(32)17-21(30)12-13-27(29,6)28(24,31)15-14-26(22,23)5/h8-9,16,18-23,25,30-32H,10-15,17H2,1-7H3/b9-8+/t19-,20+,21+,22-,23+,25-,26-,27-,28-,29+/m1/s1
SMILES C1[C@]2(C(=C[C@H]([C@@]3([C@@]2(CC[C@@H](C3)O)C)O)OC)[C@H]2[C@](C1)([C@H](CC2)[C@@H](C)/C=C/[C@H](C(C)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaHalichondriidaeTopsentia sp. Ref.
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