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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:7512 - Neoquassin
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ChEBI Ontology
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ChEBI Name
Neoquassin
ChEBI ID
CHEBI:7512
Stars
This entity has been manually annotated by a third party.
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Formula
C22H30O6
Net Charge
0
Average Mass
390.471
Monoisotopic Mass
390.20424
InChI
InChI=1S/C22H30O6/c1-
10-
7-
14(26-
5)
20(25)
22(4)
12(10)
8-
15-
21(3)
13(9-
16(23)
28-
15)
11(2)
18(27-
6)
17(24)
19(21)
22/h7,10,12-
13,15-
16,19,23H,8-
9H2,1-
6H3/t10-
,12+,13+,15-
,16?,19+,21-
,22+/m1/s1
InChIKey
BDQNCUODBJZKIY-NUPPOKJBSA-N
SMILES
COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(O)C[C@H]4C(C)=C(OC)C(=O)[C@@H]([C@@]34C)[C@@]2(C)C1=O
ChEBI Ontology
Outgoing
Neoquassin (
CHEBI:7512
)
is a
triterpenoid (
CHEBI:36615
)
Synonym
Source
Neoquassin
KEGG COMPOUND
Manual Xrefs
Databases
C00003720
KNApSAcK
C08771
KEGG COMPOUND
View more database links
Registry Number
Type
Source
76-77-7
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014