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CHEBI:198367 - Penicitrinol J

ChEBI IDCHEBI:198367
ChEBI NamePenicitrinol J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H26O7
Net Charge0
Average Mass426.465
Monoisotopic Mass426.16785
SMILESCc1c(O)c2c(c3c1[C@H](C)[C@@H](C)O3)Oc1c(C(=O)O)c(O)c(C)c3c1[C@H]2O[C@H](C)[C@H]3C
InChIInChI=1S/C24H26O7/c1-7-11(5)29-20-15-13(7)9(3)19(26)17(24(27)28)21(15)31-23-16(20)18(25)10(4)14-8(2)12(6)30-22(14)23/h7-8,11-12,20,25-26H,1-6H3,(H,27,28)/t7-,8-,11-,12-,20-/m1/s1
InChIKeyHWSTUINTMAETFY-MNRVAZOSSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (23681057)
ChEBI Ontology
Outgoing Relation(s)
Penicitrinol J (CHEBI:198367) is a xanthenes (CHEBI:38835)
IUPAC Name 
(1R,6S,7R,17S,18R)-3,14-dihydroxy-4,6,7,15,17,18-hexamethyl-8,11,19-trioxapentacyclo[10.7.1.02,10.05,9.016,20]icosa-2,4,9,12(20),13,15-hexaene-13-carboxylic acid
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30770852ChemSpider