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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:70624 - lippiolic acid
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ChEBI Name
lippiolic acid
ChEBI ID
CHEBI:70624
Definition
A natural product found in
Lippia mexicana
.
Stars
This entity has been manually annotated by a third party.
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Formula
C30H48O3
Net Charge
0
Average Mass
456.70030
Monoisotopic Mass
456.36035
InChI
InChI=1S/C30H48O3/c1-
18(2)
20-
11-
14-
30(8)
23(28(20,6)
13-
12-
24(32)
33)
10-
9-
21-
26-
25(19(3)
4)
22(31)
17-
27(26,5)
15-
16-
29(21,30)
7/h20-
23,25-
26,31H,1,3,9-
17H2,2,4-
8H3,(H,32,33)
/t20-
,21+,22-
,23+,25+,26-
,27-
,28-
,29+,30+/m0/s1
InChIKey
CMBZCUVUDFRKAG-HIHFUEEJSA-N
SMILES
[H]
[C@]
1(CC[C@]
2(C)
[C@]
([H]
)
(CC[C@]
3([H]
)
[C@@]
4([H]
)
[C@@H]
([C@@H]
(O)
C[C@]
4(C)
CC[C@@]
23C)
C(C)
=C)
[C@@]
1(C)
CCC(O)
=O)
C(C)
=C
Metabolite of Species
Details
Lippia mexicana
(IPNI:981940-1)
Found in leaf
(BTO:0000713)
. Dried and ground leaves, flowers, and stems were extracted with Me2CO and then with MeOH See:
PubMed
Lippia mexicana
(IPNI:981940-1)
Found in stem
(BTO:0001300)
. Dried and ground leaves, flowers, and stems were extracted with Me2CO and then with MeOH See:
PubMed
Lippia mexicana
(IPNI:981940-1)
Found in flower
(BTO:0000469)
. Dried and ground leaves, flowers, and stems were extracted with Me2CO and then with MeOH See:
PubMed
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
lippiolic acid (
CHEBI:70624
)
has role
metabolite (
CHEBI:25212
)
lippiolic acid (
CHEBI:70624
)
is a
steroid acid (
CHEBI:47891
)
Synonym
Source
21beta-hydroxy-3,4-seco-lupa-4(23),20(29)-dien-3-oic acid
ChEBI
Citation
Type
Source
20942442
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:androstanoid(CHEBI:50402); ISA:16alpha-hydroxy steroid(CHEBI:16799); ISA:diterpenoid(CHEBI:23849); ISA:carbocyclic fatty acid(CHEBI:35744); ISA:secondary alcohol(CHEBI:35681); ISA:organic hydroxy compound(CHEBI:33822); ISA:organonitrogen compound(CHEBI:35352); ISA:carboxylic acid(CHEBI:33575); ISA:monocarboxylic acid(CHEBI:25384); ISA:carbonyl compound(CHEBI:36586);