CHEBI:218125 - Alterporriol O

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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 Alterporriol O
ChEBI ID CHEBI:218125
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H30O14
Net Charge 0
Average Mass 638.578
Monoisotopic Mass 638.16356
InChI InChI=1S/C32H30O14/c1-31(43)27(39)19(17-21(29(31)41)23(35)11-5-9(45-3)7-13(33)15(11)25(17)37)20-18-22(30(42)32(2,44)28(20)40)24(36)12-6-10(46-4)8-14(34)16(12)26(18)38/h5-8,19-20,27-30,33-34,39-44H,1-4H3/t19-,20-,27+,28+,29+,30+,31+,32+/m0/s1
InChIKey WWOFACZMDGHQHR-VGKOLKNKSA-N
SMILES O=C1C2=C(O)C=C(OC)C=C2C(=O)C3=C1[C@H]([C@@H](O)[C@]([C@@H]3O)(O)C)[C@@H]4C=5C(=O)C6=C(O)C=C(OC)C=C6C(C5[C@@H](O)[C@@]([C@@H]4O)(O)C)=O
Metabolite of Species Details
Alternariaspecies ZJ-2008003 (NCBI:txid1081808) See: PubMed
Roles Classification
Application(s): astringent
A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
(via tannin )
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ChEBI Ontology
Outgoing Alterporriol O (CHEBI:218125) is a tannin (CHEBI:26848)
IUPAC Name
(1R,2R,3R,4R)-2,3,4,8-tetrahydroxy-6-methoxy-3-methyl-1-[(1R,2R,3R,4R)-2,3,4,8-tetrahydroxy-6-methoxy-3-methyl-9,10-dioxo-2,4-dihydro-1H-anthracen-1-yl]-2,4-dihydro-1H-anthracene-9,10-dione
Manual Xref Database
29214727 ChemSpider
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