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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:2707 - Ancistrocladine
Main
ChEBI Ontology
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ChEBI Name
Ancistrocladine
ChEBI ID
CHEBI:2707
Stars
This entity has been manually annotated by a third party.
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Formula
C25H29NO4
Net Charge
0
Average Mass
407.503
Monoisotopic Mass
407.20966
InChI
InChI=1S/C25H29NO4/c1-
13-
10-
20(29-
5)
25-
16(8-
7-
9-
19(25)
28-
4)
22(13)
24-
17-
11-
14(2)
26-
15(3)
23(17)
21(30-
6)
12-
18(24)
27/h7-
10,12,14-
15,26-
27H,11H2,1-
6H3/t14-
,15-
/m0/s1
InChIKey
XUFOYASAFNKRRE-GJZGRUSLSA-N
SMILES
COc1cc(O)c(c2C[C@H](C)N[C@@H](C)c12)-c1c(C)cc(OC)c2c(OC)cccc12
ChEBI Ontology
Outgoing
Ancistrocladine (
CHEBI:2707
)
is a
isoquinolines (
CHEBI:24922
)
Ancistrocladine (
CHEBI:2707
)
is a
naphthalenes (
CHEBI:25477
)
Synonym
Source
Ancistrocladine
KEGG COMPOUND
Manual Xrefs
Databases
C00001803
KNApSAcK
C09335
KEGG COMPOUND
View more database links
Registry Number
Type
Source
32221-59-3
CAS Registry Number
KEGG COMPOUND
Last Modified
22 September 2017