CHEBI:91545 - 3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c][2]benzopyran-6-one

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ChEBI Name 3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c][2]benzopyran-6-one
ChEBI ID CHEBI:91545
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C14H16O9
Net Charge 0
Average Mass 328.272
Monoisotopic Mass 328.07943
InChI InChI=1S/C14H16O9/c1-21-11-5(16)2-4-7(9(11)18)12-13(23-14(4)20)10(19)8(17)6(3-15)22-12/h2,6,8,10,12-13,15-19H,3H2,1H3
InChIKey YWJXCIXBAKGUKZ-UHFFFAOYSA-N
SMILES COC1=C(C=C2C(=C1O)C3C(C(C(C(O3)CO)O)O)OC2=O)O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c][2]benzopyran-6-one (CHEBI:91545) is a trihydroxybenzoic acid (CHEBI:27115)
Manual Xref Database
LSM-1334 LINCS
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