input word = C00029650

Metabolite InformationStructural formula
Name Agosterol C
Formula C31H50O6
Mw 518.36073933
CAS RN 236094-27-2
C_ID C00029650 ,
InChIKey TYLRRLLZCVWGTR-MAACJHBJNA-N
InChICode InChI=1S/C31H50O6/c1-17(2)8-11-25(34)18(3)22-9-10-23-21-16-27(36-19(4)32)28-29(37-20(5)33)26(35)13-15-31(28,7)24(21)12-14-30(22,23)6/h16-18,22-29,34-35H,8-15H2,1-7H3/t18-,22+,23-,24-,25+,26-,27+,28-,29-,30+,31+/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@](CC1)([C@H](CC2)[C@@H]([C@@H](CCC(C)C)O)C)C)C)OC(=O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaDictyodendrillidaeAcanthodendrilla sp. Ref.
--Spongia sp. Ref.
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OrganismSpongia sp.
ReferenceTsukamoto,J.Nat.Med.,60,(2006),273