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ChEBI
> Main
CHEBI:4747 - Echinocystic acid
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ChEBI Ontology
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ChEBI Name
Echinocystic acid
ChEBI ID
CHEBI:4747
Stars
This entity has been manually annotated by a third party.
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Formula
C30H48O4
Net Charge
0
Average Mass
472.701
Monoisotopic Mass
472.35526
InChI
InChI=1S/C30H48O4/c1-
25(2)
14-
15-
30(24(33)
34)
19(16-
25)
18-
8-
9-
21-
27(5)
12-
11-
22(31)
26(3,4)
20(27)
10-
13-
28(21,6)
29(18,7)
17-
23(30)
32/h8,19-
23,31-
32H,9-
17H2,1-
7H3,(H,33,34)
/t19-
,20-
,21+,22-
,23+,27-
,28+,29+,30+/m0/s1
InChIKey
YKOPWPOFWMYZJZ-PRIAQAIDSA-N
SMILES
CC1(C)
CC[C@@]
2([C@H]
(O)
C[C@]
3(C)
C(=CC[C@@H]
4[C@@]
5(C)
CC[C@H]
(O)
C(C)
(C)
[C@@H]
5CC[C@@]
34C)
[C@@H]
2C1)
C(O)
=O
ChEBI Ontology
Outgoing
Echinocystic acid (
CHEBI:4747
)
is a
triterpenoid (
CHEBI:36615
)
Synonym
Source
Echinocystic acid
KEGG COMPOUND
Manual Xrefs
Databases
C00003516
KNApSAcK
C08942
KEGG COMPOUND
View more database links
Registry Number
Type
Source
510-30-5
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014