CHEBI:80739 - Glucofrangulin A

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ChEBI Name Glucofrangulin A
ChEBI ID CHEBI:80739
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H30O14
Net Charge 0
Average Mass 578.51870
Monoisotopic Mass 578.164
InChI InChI=1S/C27H30O14/c1-8-3-11-16(13(29)4-8)21(33)17-12(19(11)31)5-10(39-26-24(36)22(34)18(30)9(2)38-26)6-14(17)40-27-25(37)23(35)20(32)15(7-28)41-27/h3-6,9,15,18,20,22-30,32,34-37H,7H2,1-2H3/t9-,15+,18-,20+,22+,23-,24+,25+,26-,27+/m0/s1
InChIKey GPSQZOFVCVOOIE-QWVHOXPHSA-N
SMILES C[C@@H]1O[C@@H](Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3C(=O)c4c(O)cc(C)cc4C(=O)c3c2)[C@H](O)[C@H](O)[C@H]1O
ChEBI Ontology
Outgoing Glucofrangulin A (CHEBI:80739) is a monohydroxyanthraquinone (CHEBI:37483)
Manual Xref Database
C16802 KEGG COMPOUND
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Registry Number Type Source
21133-53-9 CAS Registry Number KEGG COMPOUND
Last Modified
14 June 2016