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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:85160 - 3-hydroxylubimin
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ChEBI Ontology
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ChEBI Name
3-hydroxylubimin
ChEBI ID
CHEBI:85160
Definition
A vetispirane sesquiterpenoid that is lubimin substituted by a hydroxy group at position 3.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C15H24O3
Net Charge
0
Average Mass
252.34930
Monoisotopic Mass
252.17254
InChI
InChI=1S/C15H24O3/c1-
9(2)
11-
4-
5-
15(7-
11)
10(3)
14(18)
13(17)
6-
12(15)
8-
16/h8,10-
14,17-
18H,1,4-
7H2,2-
3H3/t10-
,11-
,12-
,13-
,14-
,15+/m1/s1
InChIKey
YIGYYGXJIDAEOF-OJVARPOJSA-N
SMILES
C[C@@H]1[C@@H](O)[C@H](O)C[C@H](C=O)[C@]11CC[C@H](C1)C(C)=C
Metabolite of Species
Details
Centella asiatica
(NCBI:txid48106)
See:
MetaboLights Study
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3-hydroxylubimin (
CHEBI:85160
)
has functional parent
lubimin (
CHEBI:27774
)
3-hydroxylubimin (
CHEBI:85160
)
has role
plant metabolite (
CHEBI:76924
)
3-hydroxylubimin (
CHEBI:85160
)
is a
aldehyde (
CHEBI:17478
)
3-hydroxylubimin (
CHEBI:85160
)
is a
diol (
CHEBI:23824
)
3-hydroxylubimin (
CHEBI:85160
)
is a
vetispirane sesquiterpenoid (
CHEBI:36755
)
IUPAC Name
(2
R
,5
S
,6
S
,8
R
,9
R
,10
S
)-
8,9-
dihydroxy-
10-
methyl-
2-
(prop-
1-
en-
2-
yl)spiro[4.5]decane-
6-
carbaldehyde
Manual Xref
Database
CPD-4744
MetaCyc
View more database links
Registry Number
Type
Source
2332996
Reaxys Registry Number
Reaxys
Last Modified
09 March 2015