CHEBI:192875 - 5'-Methoxybilobetin

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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 5'-Methoxybilobetin
ChEBI ID CHEBI:192875
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H22O11
Net Charge 0
Average Mass 582.517
Monoisotopic Mass 582.11621
InChI InChI=1S/C32H22O11/c1-40-27-8-15(25-12-22(38)29-19(35)9-17(34)10-26(29)42-25)7-18(31(27)41-2)28-20(36)11-21(37)30-23(39)13-24(43-32(28)30)14-3-5-16(33)6-4-14/h3-13,33-37H,1-2H3
InChIKey RQNXAFVREOYDNA-UHFFFAOYSA-N
SMILES O1C=2C(C=3C=C(C=C(OC)C3OC)C=4OC=5C(C(=O)C4)=C(O)C=C(O)C5)=C(O)C=C(O)C2C(=O)C=C1C6=CC=C(O)C=C6
Metabolite of Species Details
Cryptomeria (NCBI:txid3368) Found in needle (BTO:0000917). of strain Cryptomeria fortunei Hooibrenk See: MetaboLights Study
ChEBI Ontology
Outgoing 5'-Methoxybilobetin (CHEBI:192875) is a flavonoid oligomer (CHEBI:72720)
IUPAC Name
8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2,3-dimethoxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Manual Xrefs Databases
4477713 ChemSpider
HMDB0038101 HMDB
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