CHEBI:81705 - Dihydrogranaticin

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ChEBI Name Dihydrogranaticin
ChEBI ID CHEBI:81705
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H22O10
Net Charge 0
Average Mass 446.40410
Monoisotopic Mass 446.12130
InChI InChI=1S/C22H22O10/c1-6-13-9(3-8(31-6)4-12(24)25)18(26)15-16(19(13)27)21(29)17-14(20(15)28)10-5-11(23)22(17,30)7(2)32-10/h6-8,10-11,23,28-30H,3-5H2,1-2H3,(H,24,25)/t6-,7+,8+,10+,11+,22+/m0/s1
InChIKey YJRUVYZQSJVSCI-GNHMSDOPSA-N
SMILES C[C@@H]1O[C@@H](CC(O)=O)CC2=C1C(=O)c1c(O)c3c([C@H]4C[C@@H](O)[C@]3(O)[C@@H](C)O4)c(O)c1C2=O
ChEBI Ontology
Outgoing Dihydrogranaticin (CHEBI:81705) is a anthraquinone (CHEBI:22580)
Manual Xref Database
C18359 KEGG COMPOUND
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Registry Number Type Source
63999-06-4 CAS Registry Number KEGG COMPOUND