input word = C00029649

Metabolite InformationStructural formula
Name Agosterol A3
Formula C35H54O8
Mw 602.3818687
CAS RN 603113-64-0
C_ID C00029649 ,
InChIKey SQHIJUNAPLAJLM-DCROLKTONA-N
InChICode InChI=1S/C35H54O8/c1-10-23(18(2)3)15-27(39)19(4)25-11-12-26-24-16-30(42-21(6)37)32-33(43-22(7)38)29(41-20(5)36)13-14-34(32,8)31(24)28(40)17-35(25,26)9/h10,16,18-19,25-33,39-40H,11-15,17H2,1-9H3/b23-10+/t19-,25+,26-,27+,28+,29-,30+,31+,32-,33-,34+,35+/m0/s1
SMILES C1[C@@H]([C@@H]([C@H]2[C@](C1)([C@@H]1C(=C[C@H]2OC(=O)C)[C@H]2[C@](C[C@H]1O)([C@H](CC2)[C@@H]([C@@H](C/C(=C\C)/C(C)C)O)C)C)C)OC(=O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaDictyodendrillidaeAcanthodendrilla sp. Ref.
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OrganismAcanthodendrilla sp.
ReferenceTsukamoto,J.Nat.Med.,60,(2006),273