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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:27598 - physcion 8-gentiobioside
Main
ChEBI Ontology
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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
Download
Molfile
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SDF
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Molfile
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
View more database links
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