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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:80723 - Meliantriol
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ChEBI Ontology
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ChEBI Name
Meliantriol
ChEBI ID
CHEBI:80723
Stars
This entity has been manually annotated by a third party.
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Formula
C30H50O5
Net Charge
0
Average Mass
490.71500
Monoisotopic Mass
490.36582
InChI
InChI=1S/C30H50O5/c1-
26(2)
21-
9-
8-
20-
19(28(21,5)
13-
12-
22(26)
31)
11-
15-
29(6)
18(10-
14-
30(20,29)
7)
17-
16-
23(32)
35-
24(17)
25(33)
27(3,4)
34/h8,17-
19,21-
25,31-
34H,9-
16H2,1-
7H3/t17-
,18+,19+,21+,22+,23-
,24-
,25+,28-
,29+,30-
/m1/s1
InChIKey
NHYIETFMKIFXQL-VPEHNIDMSA-N
SMILES
CC(C)
(O)
[C@@H]
(O)
[C@@H]
1O[C@@H]
(O)
C[C@@H]
1C1CC[C@]
2(C)
C3=CC[C@H]
4C(C)
(C)
[C@@H]
(O)
CC[C@]
4(C)
[C@H]
3CC[C@@]
12C
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Meliantriol (
CHEBI:80723
)
is a
bile acid (
CHEBI:3098
)
Manual Xref
Database
C16783
KEGG COMPOUND
View more database links
Registry Number
Type
Source
25278-95-9
CAS Registry Number
KEGG COMPOUND