input word = C00055110

Metabolite InformationStructural formula
Name 5,6:8,9-Diepoxy-24-methylcholest-22-ene-3,7-diol
Formula C28H44O4
Mw 444.32395989
CAS RN 243449-51-6
C_ID C00055110
InChIKey KAQBBVJKPGNKRN-LKAVKBBMSA-N
InChICode InChI=1S/C28H44O4/c1-16(2)17(3)7-8-18(4)20-9-10-21-24(20,5)13-14-27-25(6)12-11-19(29)15-26(25)23(31-26)22(30)28(21,27)32-27/h7-8,16-23,29-30H,9-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,21+,22+,23-,24+,25-,26-,27-,28+/m0/s1
SMILES [H][C@]1([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@]2([H])[C@@]34[C@H](O)[C@@]5([H])[C@@]6(O5)C[C@@H](O)CC[C@]6(C)[C@@]3(O4)CC[C@@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Hypsizygus marmoreus Ref.
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OrganismHypsizygus marmoreus
ReferencePetzoldt, K. et al., Annalen, 1969, 724, 194 (Melithasterol B)