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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:4384 - Delphinine
Main
ChEBI Ontology
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ChEBI Name
Delphinine
ChEBI ID
CHEBI:4384
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C33H45NO9
Net Charge
0
Average Mass
599.713
Monoisotopic Mass
599.30943
InChI
InChI=1S/C33H45NO9/c1-
18(35)
43-
32-
15-
22(40-
5)
31(37)
14-
20(23(32)
28(31)
42-
29(36)
19-
10-
8-
7-
9-
11-
19)
33-
21(39-
4)
12-
13-
30(17-
38-
3)
16-
34(2)
27(33)
24(32)
25(41-
6)
26(30)
33/h7-
11,20-
28,37H,12-
17H2,1-
6H3/t20-
,21+,22+,23-
,24+,25+,26-
,27?,28-
,30+,31+,32-
,33+/m1/s1
InChIKey
REVYTWNGZDPRKE-UWZYQZSNSA-N
SMILES
COC[C@@]
12CC[C@H]
(OC)
[C@@]
34[C@@H]
5C[C@@]
6(O)
[C@H]
(OC(=O)
c7ccccc7)
[C@@H]
5[C@@]
(C[C@@H]
6OC)
(OC(C)
=O)
[C@@H]
([C@H]
(OC)
[C@H]
13)
C4N(C)
C2
ChEBI Ontology
Outgoing
Delphinine (
CHEBI:4384
)
is a
diterpenoid (
CHEBI:23849
)
Synonym
Source
Delphinine
KEGG COMPOUND
Manual Xrefs
Databases
C00001633
KNApSAcK
C08677
KEGG COMPOUND
View more database links
Registry Number
Type
Source
561-07-9
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014