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CHEBI:226297 - Mycopyranone

ChEBI IDCHEBI:226297
ChEBI NameMycopyranone
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SubmitterMetaboLights
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FormulaC40H46O12
Net Charge0
Average Mass718.796
Monoisotopic Mass718.29893
SMILESCCC(C)CC[C@H]1OC(=O)c2c(cc3cc(OC)c(-c4c(OC)cc5cc6c(c(O)c5c4O)C(=O)O[C@H](CCC(C)CC)[C@@H]6O)c(O)c3c2O)[C@H]1O
InChIInChI=1S/C40H46O12/c1-7-17(3)9-11-23-33(41)21-13-19-15-25(49-5)31(37(45)27(19)35(43)29(21)39(47)51-23)32-26(50-6)16-20-14-22-30(36(44)28(20)38(32)46)40(48)52-24(34(22)42)12-10-18(4)8-2/h13-18,23-24,33-34,41-46H,7-12H2,1-6H3/t17?,18?,23-,24-,33-,34-/m1/s1
InChIKeyRWINYNPREAPYCX-FAAPOAQPSA-N
Species of MetaboliteComponentSourceComments
Thyridium (ncbitaxon:265082) - PubMed (31598014)
ChEBI Ontology
Outgoing Relation(s)
Mycopyranone (CHEBI:226297) is a organic heterotricyclic compound (CHEBI:26979)
Mycopyranone (CHEBI:226297) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,4R)-4,9,10-trihydroxy-7-methoxy-3-(3-methylpentyl)-8-[(3R,4R)-4,9,10-trihydroxy-7-methoxy-3-(3-methylpentyl)-1-oxo-3,4-dihydrobenzo[g]isochromen-8-yl]-3,4-dihydrobenzo[g]isochromen-1-one