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> Main
CHEBI:70187 - 2'-epi-tuberatolide B
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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.
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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
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);