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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:6019 - Isohelenol
Main
ChEBI Ontology
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ChEBI Name
Isohelenol
ChEBI ID
CHEBI:6019
Stars
This entity has been manually annotated by a third party.
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Formula
C15H18O5
Net Charge
0
Average Mass
278.301
Monoisotopic Mass
278.11542
InChI
InChI=1S/C15H18O5/c1-
7-
5-
10-
12(8(6-
16)
14(19)
20-
10)
13(18)
15(2)
9(7)
3-
4-
11(15)
17/h3-
4,7,9-
10,13,16,18H,5-
6H2,1-
2H3/t7-
,9+,10-
,13+,15+/m1/s1
InChIKey
HNDYFBSTNFZJEB-JMLQNSIWSA-N
SMILES
C[C@@H]1C[C@H]2OC(=O)C(CO)=C2[C@H](O)[C@@]2(C)[C@H]1C=CC2=O
ChEBI Ontology
Outgoing
Isohelenol (
CHEBI:6019
)
is a
sesquiterpenoid (
CHEBI:26658
)
Synonym
Source
Isohelenol
KEGG COMPOUND
Manual Xrefs
Databases
C00003307
KNApSAcK
C09485
KEGG COMPOUND
View more database links
Registry Number
Type
Source
71013-32-6
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014