input word = C00041269

Metabolite InformationStructural formula
Name 3beta,11-Dihydroxy-5beta,6beta-epoxy-9,11-secogorgostan-9-one
Formula C30H50O4
Mw 474.37091008
CAS RN 909424-93-7
C_ID C00041269 ,
InChIKey YAVBMUREITUUBC-MXOJTSFANA-N
InChICode InChI=1S/C30H50O4/c1-17(2)19(4)28(6)16-24(28)18(3)22-8-9-23(27(22,5)12-13-31)21-14-25-30(34-25)15-20(32)10-11-29(30,7)26(21)33/h17-25,31-32H,8-16H2,1-7H3/t18-,19+,20-,21-,22+,23-,24+,25+,27+,28+,29+,30+/m0/s1
SMILES [C@@H]1(CC[C@]2([C@@]3(C1)[C@@H](C[C@H](C2=O)[C@@H]1CC[C@@H]([C@@]1(C)CCO)[C@@H]([C@@H]1[C@]([C@@H](C(C)C)C)(C)C1)C)O3)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaXeniidaeCespitularia hypotentaculata Roxas Ref.
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