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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
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CHEBI:6697 - Mascaroside
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ChEBI Ontology
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ChEBI Name
Mascaroside
ChEBI ID
CHEBI:6697
Stars
This entity has been manually annotated by a third party.
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Formula
C26H36O11
Net Charge
0
Average Mass
524.558
Monoisotopic Mass
524.22576
InChI
InChI=1S/C26H36O11/c1-
24-
8-
15(29)
20-
12(3-
5-
35-
20)
13(24)
2-
4-
25-
7-
11(6-
14(28)
21(24)
25)
26(34,23(25)
33)
10-
36-
22-
19(32)
18(31)
17(30)
16(9-
27)
37-
22/h3,5,11,13-
14,16-
19,21-
23,27-
28,30-
34H,2,4,6-
10H2,1H3/t11-
,13-
,14+,16-
,17-
,18+,19-
,21+,22-
,23-
,24-
,25-
,26+/m1/s1
InChIKey
SJBDVPKAXKLGPV-UKNYEQEFSA-N
SMILES
C[C@@]
12CC(=O)
c3occc3[C@H]
1CC[C@@]
13C[C@@H]
(C[C@H]
(O)
[C@@H]
21)
[C@@]
(O)
(CO[C@@H]
1O[C@H]
(CO)
[C@@H]
(O)
[C@H]
(O)
[C@H]
1O)
[C@@H]
3O
ChEBI Ontology
Outgoing
Mascaroside (
CHEBI:6697
)
is a
naphthofuran (
CHEBI:39270
)
Synonym
Source
Mascaroside
KEGG COMPOUND
Manual Xrefs
Databases
C00003453
KNApSAcK
C09132
KEGG COMPOUND
View more database links
Registry Number
Type
Source
55465-97-9
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014