2,3,6-Trihydroxycaryol-5-en-7-one (CHEBI:217788)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	2,3,6-Trihydroxycaryol-5-en-7-one

ChEBI ID	CHEBI:217788

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H22O4

Net Charge

Average Mass

266.337

Monoisotopic Mass

266.15181

InChI

InChI=1S/C15H22O4/c1-14(2)4-7-8-5-15(3,6-9(16)11(8)17)13(19)12(18)10(7)14/h6-8,10,12-13,16,18-19H,4-5H2,1-3H3/t7?,8?,10-,12+,13+,15+/m0/s1

InChIKey

HLOLZJQTBAHVLG-JNVPVNBGSA-N

SMILES

O=C1C(O)=C[C@@]2([C@H](O)[C@@H]([C@@H]3C(C1C2)CC3(C)C)O)C

Metabolite of Species	Details
Campanella junghuhnii (NCBI:txid139083)	See: DOI

ChEBI Ontology
Outgoing	2,3,6-Trihydroxycaryol-5-en-7-one (CHEBI:217788) is a cyclohexenones (CHEBI:48953)

IUPAC Name

(5R,6R,7S,8R)-6,7,10-trihydroxy-4,4,8-trimethyltricyclo[6.3.1.02,5]dodec-9-en-11-one