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CHEBI:201687 - Dermocanarin 8

ChEBI IDCHEBI:201687
ChEBI NameDermocanarin 8
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H30O11
Net Charge0
Average Mass602.592
Monoisotopic Mass602.17881
SMILESCOc1cc(OC)c2c(c1)C(=O)C1=C(C2=O)c2c(CO)cc3cc4c(c(O)c3c2OC(=O)C[C@@](C)(O)C1)C(=O)C[C@](C)(O)C4
InChIInChI=1S/C33H30O11/c1-32(40)9-15-5-14-6-16(13-34)24-27-19(28(37)18-7-17(42-3)8-21(43-4)26(18)30(27)39)10-33(2,41)12-22(36)44-31(24)25(14)29(38)23(15)20(35)11-32/h5-8,34,38,40-41H,9-13H2,1-4H3/t32-,33+/m1/s1
InChIKeyPNMPVDIDYQMUPD-SAIUNTKASA-N
Species of MetaboliteComponentSourceComments
Cortinarius (ncbitaxon:34451) - DOI (10.1071/ch99076)
ChEBI Ontology
Outgoing Relation(s)
Dermocanarin 8 (CHEBI:201687) is a naphthoquinone (CHEBI:25481)
IUPAC Name 
(13S,23R)-13,19,23-trihydroxy-29-(hydroxymethyl)-5,7-dimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.02,11.04,9.018,27.020,25]nonacosa-1(17),2(11),4(9),5,7,18,20(25),26,28-nonaene-3,10,15,21-tetrone
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78440111ChemSpider