(-)-bornyl ferulate (CHEBI:157707)

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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	(-)-bornyl ferulate

ChEBI ID	CHEBI:157707

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H26O4

Net Charge

Average Mass

330.424

Monoisotopic Mass

330.18311

InChI

InChI=1S/C20H26O4/c1-19(2)14-9-10-20(19,3)17(12-14)24-18(22)8-6-13-5-7-15(21)16(11-13)23-4/h5-8,11,14,17,21H,9-10,12H2,1-4H3/b8-6+

InChIKey

PKAIECBWQZFYRP-SOFGYWHQSA-N

SMILES

O(C1C2(C(C(C1)CC2)(C)C)C)C(=O)/C=C/C3=CC(OC)=C(O)C=C3

Metabolite of Species	Details
Piper methysticum (NCBI:txid130404)	Found in stem (BTO:0001300). of strain Piper methysticum cv. Loa Kasa Leka See: MetaboLights Study
Piper methysticum (NCBI:txid130404)	Found in crown root (PO:0000043). of strain Piper methysticum cv. Loa Kasa Leka See: MetaboLights Study
Piper methysticum (NCBI:txid130404)	Found in lateral root (BTO:0005441). of strain Piper methysticum cv. Loa Kasa Leka See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	(-)-bornyl ferulate (CHEBI:157707) is a hydroxycinnamic acid (CHEBI:24689)

IUPAC Name

(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate