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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
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CHEBI:9548 - Thiobinupharidine
Main
ChEBI Ontology
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ChEBI Name
Thiobinupharidine
ChEBI ID
CHEBI:9548
Stars
This entity has been manually annotated by a third party.
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Formula
C30H42N2O2S
Net Charge
0
Average Mass
494.734
Monoisotopic Mass
494.29670
InChI
InChI=1S/C30H42N2O2S/c1-
21-
3-
5-
27(23-
9-
13-
33-
15-
23)
31-
18-
29(11-
7-
25(21)
31)
17-
30(35-
20-
29)
12-
8-
26-
22(2)
4-
6-
28(32(26)
19-
30)
24-
10-
14-
34-
16-
24/h9-
10,13-
16,21-
22,25-
28H,3-
8,11-
12,17-
20H2,1-
2H3/t21-
,22-
,25+,26+,27+,28+,29+,30+/m1/s1
InChIKey
WBMOHCBEBDKSBI-JYZUVFRYSA-N
SMILES
C[C@@H]1CC[C@H](N2C[C@]3(CS[C@]4(C3)CC[C@H]3[C@H](C)CC[C@H](N3C4)c3ccoc3)CC[C@@H]12)c1ccoc1
ChEBI Ontology
Outgoing
Thiobinupharidine (
CHEBI:9548
)
is a
quinolizines (
CHEBI:38063
)
Synonym
Source
Thiobinupharidine
KEGG COMPOUND
Manual Xrefs
Databases
C00001985
KNApSAcK
C09990
KEGG COMPOUND
View more database links
Registry Number
Type
Source
30343-72-7
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014