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CHEBI:66768 - Polacandrin
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ChEBI Ontology
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ChEBI Name
Polacandrin
ChEBI ID
CHEBI:66768
Definition
A natural product found in
Polanisia dodecandra
.
Stars
This entity has been manually annotated by a third party.
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Formula
C30H52O5
Net Charge
0
Average Mass
492.73090
Monoisotopic Mass
492.38147
InChI
InChI=1S/C30H52O5/c1-
25(2)
19-
10-
13-
27(5)
20(30(19,8)
22(33)
16-
21(25)
32)
15-
18(31)
24-
17(9-
12-
28(24,27)
6)
29(7)
14-
11-
23(35-
29)
26(3,4)
34/h17-
24,31-
34H,9-
16H2,1-
8H3/t17-
,18+,19-
,20-
,21+,22+,23-
,24-
,27+,28+,29-
,30-
/m0/s1
InChIKey
ZDMWPLUKUXQVLI-QXTFULOPSA-N
SMILES
[H]
[C@@]
1(CC[C@]
2(C)
[C@]
1([H]
)
[C@H]
(O)
C[C@@]
1([H]
)
[C@@]
2(C)
CC[C@@]
2([H]
)
C(C)
(C)
[C@H]
(O)
C[C@@H]
(O)
[C@]
12C)
[C@]
1(C)
CC[C@H]
(O1)
C(C)
(C)
O
Metabolite of Species
Details
Polanisia dodecandra
(NCBI:txid72660)
Found in whole plant
(BTO:0001461)
. 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.
(via
saponin
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Polacandrin (
CHEBI:66768
)
has role
metabolite (
CHEBI:25212
)
Polacandrin (
CHEBI:66768
)
is a
triterpenoid saponin (
CHEBI:61778
)
Synonym
Source
1beta,3alpha,12beta,25-Tetrahydroxy-20(S),24(S)-epoxydammarane
ChEBI
Citation
Type
Source
1453183
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:triterpenoid(CHEBI:36615); HP:dammarane(CHEBI:36488); ISA:3alpha-hydroxy steroid(CHEBI:36835); ISA:12-hydroxy steroid(CHEBI:36845); ISA:tertiary alcohol(CHEBI:26878); ISA:oxolanes(CHEBI:26912); ISA:organic hydroxy compound(CHEBI:33822); ISA:polyol(CHEBI:26191); ISA:secondary alcohol(CHEBI:35681); ISA:ether(CHEBI:25698);