CHEBI:70187 - 2'-epi-tuberatolide B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2'-epi-tuberatolide B
ChEBI ID CHEBI:70187
Definition A natural product found in Botryllus tuberatus.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C27H34O4
Net Charge 0
Average Mass 422.55650
Monoisotopic Mass 422.24571
InChI InChI=1S/C27H34O4/c1-18(2)8-6-10-22-17-24(30-26(22)29)14-19(3)9-7-12-27(5)13-11-21-16-23(28)15-20(4)25(21)31-27/h8-9,11,13,15-17,24,28H,6-7,10,12,14H2,1-5H3/b19-9+/t24-,27-/m1/s1
InChIKey BNWXBVSPPVIYFO-URLCLMEBSA-N
SMILES CC(C)=CCCC1=C[C@@H](C\C(C)=C\CC[C@@]2(C)Oc3c(C)cc(O)cc3C=C2)OC1=O
Metabolite of Species Details
Botryllus tuberatus (WORMS:250109) Frozen, lyophilized, dried extract of specimen in 50% methanol in dichloromethane 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 2'-epi-tuberatolide B (CHEBI:70187) has role metabolite (CHEBI:25212)
2'-epi-tuberatolide B (CHEBI:70187) is a diterpene lactone (CHEBI:49193)
Synonym Source
(2R)-2-[(E)-5-[(2R)-6-hydroxy-2,8-dimethylchromen-2-yl]-2-methylpent-2-enyl]-4-(4-methylpent-3-enyl)-2H-furan-5-one ChEBI
Citation Waiting for Citations Type Source
21142112 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:diterpenoid(CHEBI:23849); ISA:1-benzopyran(CHEBI:38443); ISA:hydroxytoluene(CHEBI:24751); ISA:aromatic ether(CHEBI:35618); ISA:toluenes(CHEBI:27024); ISA:butenolide(CHEBI:50523); ISA:enoate ester(CHEBI:51702); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:lactone(CHEBI:25000); ISA:aromatic alcohol(CHEBI:33854); ISA:carbonyl compound(CHEBI:36586);