input word = C00055157

Metabolite InformationStructural formula
Name Citreoviridinol A2
Formula C22H28O8
Mw 420.17841787
CAS RN 94122-10-8
C_ID C00055157
InChIKey IQOXOOYMXWDCEG-SMIAWQBRSA-N
InChICode InChI=1S/C22H28O8/c1-13-14(28-16(23)12-15(13)27-5)10-8-6-7-9-11-20(2)17(24)21(3)18(25)22(4,30-20)19(26)29-21/h6-12,17-19,24-26H,1-5H3/b7-6+,10-8+,11-9+/t17-,18-,19-,20+,21-,22+/m0/s1
SMILES COc1cc(=O)oc(/C=C/C=C/C=C/[C@@]2(C)O[C@]3(C)[C@@H](O)[C@@](C)(O[C@@H]3O)[C@H]2O)c1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium pedemontanum Ref.
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OrganismPenicillium pedemontanum
ReferenceRebuffat, S. et al., Org. Mass Spectrom., 1984, 19, 349 (ms)