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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
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CHEBI:8038 - Phaeantharine
Main
ChEBI Ontology
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ChEBI Name
Phaeantharine
ChEBI ID
CHEBI:8038
Stars
This entity has been manually annotated by a third party.
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Formula
C39H40N2O6
Net Charge
+2
Average Mass
632.746
Monoisotopic Mass
632.28754
InChI
InChI=1S/C39H40N2O6/c1-
40-
16-
14-
27-
21-
35(43-
4)
37(45-
6)
23-
30(27)
32(40)
18-
25-
8-
11-
29(12-
9-
25)
47-
39-
20-
26(10-
13-
34(39)
42-
3)
19-
33-
31-
24-
38(46-
7)
36(44-
5)
22-
28(31)
15-
17-
41(33)
2/h8-
17,20-
24H,18-
19H2,1-
7H3/q+2
InChIKey
IWKHGZDMTOKGQP-UHFFFAOYSA-N
SMILES
COc1ccc(Cc2[n+](C)ccc3cc(OC)c(OC)cc23)cc1Oc1ccc(Cc2[n+](C)ccc3cc(OC)c(OC)cc23)cc1
ChEBI Ontology
Outgoing
Phaeantharine (
CHEBI:8038
)
is a
isoquinolines (
CHEBI:24922
)
Synonym
Source
Phaeantharine
KEGG COMPOUND
Manual Xrefs
Databases
C00001902
KNApSAcK
C09608
KEGG COMPOUND
View more database links
Registry Number
Type
Source
27670-80-0
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014