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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:8629 - Pterosterone
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ChEBI Ontology
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ChEBI Name
Pterosterone
ChEBI ID
CHEBI:8629
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C27H44O7
Net Charge
0
Average Mass
480.635
Monoisotopic Mass
480.30870
InChI
InChI=1S/C27H44O7/c1-
14(2)
18(28)
12-
23(32)
26(5,33)
22-
7-
9-
27(34)
16-
10-
19(29)
17-
11-
20(30)
21(31)
13-
24(17,3)
15(16)
6-
8-
25(22,27)
4/h10,14-
15,17-
18,20-
23,28,30-
34H,6-
9,11-
13H2,1-
5H3/t15-
,17-
,18-
,20+,21-
,22-
,23+,24+,25+,26+,27+/m0/s1
InChIKey
UMMBJCYNGLCGEF-OAUIFJKNSA-N
SMILES
CC(C)
[C@@H]
(O)
C[C@@H]
(O)
[C@]
(C)
(O)
[C@H]
1CC[C@@]
2(O)
C3=CC(=O)
[C@@H]
4C[C@@H]
(O)
[C@@H]
(O)
C[C@]
4(C)
[C@H]
3CC[C@]
12C
ChEBI Ontology
Outgoing
Pterosterone (
CHEBI:8629
)
is a
steroid (
CHEBI:35341
)
Synonym
Source
Pterosterone
KEGG COMPOUND
Manual Xrefs
Databases
C00003670
KNApSAcK
C08838
KEGG COMPOUND
View more database links
Registry Number
Type
Source
18089-44-6
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014