CHEBI:69957 - (1R,2E,4R,7E,10S,11S,12R)-10-acetoxy-18-hydroxy-2,7-dolabelladiene

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ChEBI Name (1R,2E,4R,7E,10S,11S,12R)-10-acetoxy-18-hydroxy-2,7-dolabelladiene
ChEBI ID CHEBI:69957
Definition A natural product found in Dilophus spiralis.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H36O3
Net Charge 0
Average Mass 348.51940
Monoisotopic Mass 348.26645
InChI InChI=1S/C22H36O3/c1-15-8-7-9-16(2)14-19(25-17(3)23)20-18(21(4,5)24)11-13-22(20,6)12-10-15/h9-10,12,15,18-20,24H,7-8,11,13-14H2,1-6H3/b12-10+,16-9+/t15-,18-,19+,20-,22+/m1/s1
InChIKey QPIUBKNTZMBLLI-ASFQSAAXSA-N
SMILES [H][C@@]12[C@H](CC(C)=CCC[C@@H](C)\C=C\[C@@]1(C)CC[C@H]2C(C)(C)O)OC(C)=O
Metabolite of Species Details
Dilophus sp.ralis (NCBI:txid499621) Methanol extract of freeze-dried alga 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.
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ChEBI Ontology
Outgoing (1R,2E,4R,7E,10S,11S,12R)-10-acetoxy-18-hydroxy-2,7-dolabelladiene (CHEBI:69957) has role metabolite (CHEBI:25212)
(1R,2E,4R,7E,10S,11S,12R)-10-acetoxy-18-hydroxy-2,7-dolabelladiene (CHEBI:69957) is a diterpenoid (CHEBI:23849)
Synonym Source
[(1R,3aR,4E,6R,9E,12S,12aS)-1-(1-hydroxy-1-methyl-ethyl)-3a,6,10-trimethyl-2,3,6,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-12-yl] acetate ChEBI
Manual Xref Database
26393521 ChemSpider
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Citation Waiting for Citations Type Source
21190330 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:tertiary alcohol(CHEBI:26878); ISA:carboxylic ester(CHEBI:33308); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:carbonyl compound(CHEBI:36586);