input word = C00058010

Metabolite InformationStructural formula
Name 3,5,9,14-Tetrahydroxyergosta-7,22-dien-6-one
Formula C28H44O5
Mw 460.31887452
CAS RN 211486-14-5
C_ID C00058010
InChIKey RLODFSODJNFIMP-STGSRIEASA-N
InChICode InChI=1S/C28H44O5/c1-17(2)18(3)7-8-19(4)21-10-12-26(31)22-15-23(30)28(33)16-20(29)9-11-25(28,6)27(22,32)14-13-24(21,26)5/h7-8,15,17-21,29,31-33H,9-14,16H2,1-6H3/b8-7+/t18-,19+,20-,21+,24+,25+,26+,27+,28-/m0/s1
SMILES CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiPleurotaceaePleurotus ostreatus Ref.
FungiPolyporaceaeLentinus edodes Ref.
FungiStrophariaceaePholiota nameko Ref.
--Hypsizygus marmoreus Ref.
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OrganismPholiota nameko
ReferenceYaoita, Y. et al., Chem. Pharm. Bull., 1998, 46, 944-950

2001, 49, 589-594 (ketones)