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CHEBI:48410 - (2S,3S,4S)-4-(hydroxymethyl)-2-methoxy-3-[(2E)-6-methylhept-2-en-2-yl]cyclohexanone

ChEBI IDCHEBI:48410
ChEBI Name(2S,3S,4S)-4-(hydroxymethyl)-2-methoxy-3-[(2E)-6-methylhept-2-en-2-yl]cyclohexanone
Stars
ASCII Name(2S,3S,4S)-4-(hydroxymethyl)-2-methoxy-3-[(2E)-6-methylhept-2-en-2-yl]cyclohexanone
Last Modified22 April 2008
Submitterhcourrier
DownloadsMolfile
FormulaC16H28O3
Net Charge0
Average Mass268.397
Monoisotopic Mass268.20384
SMILESCO[C@@H]1C(=O)CC[C@H](CO)[C@H]1/C(C)=C/CCC(C)C
InChIInChI=1S/C16H28O3/c1-11(2)6-5-7-12(3)15-13(10-17)8-9-14(18)16(15)19-4/h7,11,13,15-17H,5-6,8-10H2,1-4H3/b12-7+/t13-,15-,16-/m1/s1
InChIKeyULMJZNJSRRRTLJ-ULVLTVHJSA-N
Roles Classification
Application:
angiogenesis inhibitor  An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,4S)-4-(hydroxymethyl)-2-methoxy-3-[(2E)-6-methylhept-2-en-2-yl]cyclohexanone (CHEBI:48410) has functional parent cyclohexanone (CHEBI:17854)
(2S,3S,4S)-4-(hydroxymethyl)-2-methoxy-3-[(2E)-6-methylhept-2-en-2-yl]cyclohexanone (CHEBI:48410) has functional parent fumagalone (CHEBI:48530)
(2S,3S,4S)-4-(hydroxymethyl)-2-methoxy-3-[(2E)-6-methylhept-2-en-2-yl]cyclohexanone (CHEBI:48410) has role angiogenesis inhibitor (CHEBI:48422)
(2S,3S,4S)-4-(hydroxymethyl)-2-methoxy-3-[(2E)-6-methylhept-2-en-2-yl]cyclohexanone (CHEBI:48410) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(2S,3S,4S)-4-(hydroxymethyl)-2-methoxy-3-[(2E)-6-methylhept-2-en-2-yl]cyclohexanone
Synonym  Source
2(S)-3(S)-4(S)-3-(1,5-dimethyl-hex-1-enyl)-4-hydroxymethyl-2-methoxycyclohexanonePatent
Manual XrefsDatabases
FR2872511Patent