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ChEBI
> Main
CHEBI:50387 - tuberculosinol
Main
ChEBI Ontology
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ChEBI Name
tuberculosinol
ChEBI ID
CHEBI:50387
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C20H34O
Net Charge
0
Average Mass
290.48340
Monoisotopic Mass
290.26097
InChI
InChI=1S/C20H34O/c1-
15(11-
14-
21)
10-
13-
20(5)
16(2)
8-
9-
17-
18(20)
7-
6-
12-
19(17,3)
4/h9,11,16,18,21H,6-
8,10,12-
14H2,1-
5H3/b15-
11+/t16-
,18+,20+/m0/s1
InChIKey
VHFDWNJLUATPID-AHKHSGQUSA-N
SMILES
C[C@H]1CC=C2[C@@H](CCCC2(C)C)[C@]1(C)CC\C(C)=C\CO
ChEBI Ontology
Outgoing
tuberculosinol (
CHEBI:50387
)
is a
diterpenoid (
CHEBI:23849
)
Incoming
1-tuberculosinyladenosine(1+) (
CHEBI:85603
)
has functional parent
tuberculosinol (
CHEBI:50387
)
tuberculosinyl diphosphate (
CHEBI:50388
)
has functional parent
tuberculosinol (
CHEBI:50387
)
IUPAC Name
(2
E
)-
3-
methyl-
5-
[(1
R
,2
S
,8a
S
)-
1,2,5,5-
tetramethyl-
1,2,3,5,6,7,8,8a-
octahydronaphthalen-
1-
yl]pent-
2-
en-
1-
ol
Synonyms
Sources
halima-5,6-dien-15-ol
ChEBI
tuberculosinol
UniProt
Last Modified
15 July 2015
General Comment
2008-08-07
PMID:15719101