CHEBI:69969 - 8alpha-hydroxylabda-13(16),14-dien-19-yl-cis-4-hydroxycinnamate

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ChEBI Name 8alpha-hydroxylabda-13(16),14-dien-19-yl-cis-4-hydroxycinnamate
ChEBI ID CHEBI:69969
Definition A natural product found in Metasequoia glyptostroboides.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C29H40O4
Net Charge 0
Average Mass 452.62550
Monoisotopic Mass 452.29266
InChI InChI=1S/C29H40O4/c1-6-21(2)8-14-25-28(4)18-7-17-27(3,24(28)16-19-29(25,5)32)20-33-26(31)15-11-22-9-12-23(30)13-10-22/h6,9-13,15,24-25,30,32H,1-2,7-8,14,16-20H2,3-5H3/b15-11-/t24-,25+,27+,28-,29+/m0/s1
InChIKey LXORINFASUBZBQ-DEYDKXAOSA-N
SMILES [H][C@@]12CC[C@@](C)(O)[C@H](CCC(=C)C=C)[C@@]1(C)CCC[C@]2(C)COC(=O)\C=C/c1ccc(O)cc1
Metabolite of Species Details
Metasequoia glyptostroboides (NCBI:txid3371) Found in stem (BTO:0001300). 95% ethanolic extract of air-dried, powdered stems and leaves See: PubMed
Metasequoia glyptostroboides (NCBI:txid3371) Found in leaf (BTO:0000713). 95% ethanolic extract of air-dried, powdered stems and leaves See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 8alpha-hydroxylabda-13(16),14-dien-19-yl-cis-4-hydroxycinnamate (CHEBI:69969) has role metabolite (CHEBI:25212)
8alpha-hydroxylabda-13(16),14-dien-19-yl-cis-4-hydroxycinnamate (CHEBI:69969) is a diterpenoid (CHEBI:23849)
Citation Waiting for Citations Type Source
21226514 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:cinnamate ester(CHEBI:36087); ISA:hydroxycinnamic acid(CHEBI:24689); ISA:olefinic compound(CHEBI:78840); ISA:styrenes(CHEBI:26799); ISA:fatty acid ester(CHEBI:35748); ISA:phenols(CHEBI:33853); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:tertiary alcohol(CHEBI:26878); ISA:enoate ester(CHEBI:51702); ISA:organic hydroxy compound(CHEBI:33822); ISA:ether(CHEBI:25698); ISA:organic heterocyclic compound(CHEBI:24532); ISA:monocarboxylic acid(CHEBI:25384); ISA:organonitrogen compound(CHEBI:35352); ISA:carbonyl compound(CHEBI:36586); ISA:aromatic alcohol(CHEBI:33854);