CHEBI:197555 - Cardinalin 8

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Cardinalin 8
ChEBI ID CHEBI:197555
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C32H38O10
Net Charge 0
Average Mass 582.646
Monoisotopic Mass 582.24650
InChI InChI=1S/C32H38O10/c1-11-7-15-21(13(3)41-11)29(35)23-17(27(15)33)9-19(39-5)25(31(23)37)26-20(40-6)10-18-24(32(26)38)30(36)22-14(4)42-12(2)8-16(22)28(18)34/h9-16,21-22,27-28,33-34,37-38H,7-8H2,1-6H3/t11-,12-,13+,14+,15+,16+,21+,22+,27+,28+/m0/s1
InChIKey AIUGWOVGEYHKII-VBBUSCQISA-N
SMILES O=C1C2=C(O)C(C3=C(O)C=4C(=O)[C@H]5[C@@H](C[C@H](C)O[C@@H]5C)[C@H](C4C=C3OC)O)=C(OC)C=C2[C@H](O)[C@H]6[C@H]1[C@H](O[C@H](C6)C)C
Metabolite of Species Details
Cortinarius cardinalis (NCBI:txid183877) See: DOI
ChEBI Ontology
Outgoing Cardinalin 8 (CHEBI:197555) is a phenylpropanoid (CHEBI:26004)
IUPAC Name
(1R,3S,4aR,5R,10aS)-8-[(1R,3S,4aR,5R,10aS)-5,9-dihydroxy-7-methoxy-1,3-dimethyl-10-oxo-1,3,4,4a,5,10a-hexahydrobenzo[g]isochromen-8-yl]-5,9-dihydroxy-7-methoxy-1,3-dimethyl-1,3,4,4a,5,10a-hexahydrobenzo[g]isochromen-10-one
Manual Xref Database
78436228 ChemSpider
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