input word = C00029652

Metabolite InformationStructural formula
Name Agosterol C7
(+)-Agosterol C7
Formula C32H50O7
Mw 546.35565395
CAS RN 603113-62-8
C_ID C00029652 ,
InChIKey VADVFHPNQHOFEA-VTJDQGBUNA-N
InChICode InChI=1S/C32H50O7/c1-17(2)18(3)15-27(36)32(8,37)26-10-9-22-21-16-25(38-19(4)33)28-29(39-20(5)34)24(35)12-14-31(28,7)23(21)11-13-30(22,26)6/h16-17,22-29,35-37H,3,9-15H2,1-2,4-8H3/t22-,23-,24-,25+,26-,27+,28-,29-,30-,31+,32+/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@]([C@@H](CC(=C)C(C)C)O)(O)C)C)C)OC(=O)C)O
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