CHEBI:27598 - physcion 8-gentiobioside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name physcion 8-gentiobioside
ChEBI ID CHEBI:27598
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:8184, CHEBI:26107
Supplier Information
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Formulae C28H32O15
C28H32O15
Net Charge 0
Average Mass 608.546
Monoisotopic Mass 608.17412
InChI InChI=1S/C28H32O15/c1-9-3-11-17(13(30)4-9)22(34)18-12(19(11)31)5-10(39-2)6-14(18)41-28-26(38)24(36)21(33)16(43-28)8-40-27-25(37)23(35)20(32)15(7-29)42-27/h3-6,15-16,20-21,23-30,32-33,35-38H,7-8H2,1-2H3/t15-,16-,20-,21-,23+,24+,25-,26-,27-,28-/m1/s1
InChIKey YMXXCMGLMRYEQD-BFTLVBKUSA-N
SMILES C1=C(C=2C(C=3C(=CC(=CC3C(C2C=C1OC)=O)C)O)=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O
ChEBI Ontology
Outgoing physcion 8-gentiobioside (CHEBI:27598) has functional parent physcion (CHEBI:38167)
physcion 8-gentiobioside (CHEBI:27598) is a disaccharide derivative (CHEBI:63353)
physcion 8-gentiobioside (CHEBI:27598) is a gentiobioside (CHEBI:24215)
physcion 8-gentiobioside (CHEBI:27598) is a monohydroxyanthraquinone (CHEBI:37483)
IUPAC Name
8-hydroxy-3-methoxy-6-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside
Synonyms Sources
Physcion 8-gentiobioside KEGG COMPOUND
Physcion 8-O-beta-D-gentiobioside KEGG COMPOUND
Physcion diglucoside KEGG COMPOUND
Manual Xrefs Databases
C00002849 KNApSAcK
C10382 KEGG COMPOUND
LMPK13040012 LIPID MAPS
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Registry Numbers Types Sources
5692919 Beilstein Registry Number Beilstein
84268-38-2 CAS Registry Number KEGG COMPOUND
84268-38-2 CAS Registry Number ChemIDplus
Last Modified
14 June 2016