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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:69185 - JBIR-85
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ChEBI Ontology
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ChEBI Name
JBIR-85
ChEBI ID
CHEBI:69185
Definition
A natural product found in
Streptomyces
species.
Stars
This entity has been manually annotated by a third party.
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Formula
C22H20O10
Net Charge
0
Average Mass
444.38820
Monoisotopic Mass
444.10565
InChI
InChI=1S/C22H20O10/c1-
7(23)
8-
4-
11-
9-
6-
21(8)
15(19(28)
22(9,31-
3)
20(29)
32-
11)
17(26)
13-
10(24)
5-
12(30-
2)
16(25)
14(13)
18(21)
27/h5,8-
9,11,24-
25,28H,4,6H2,1-
3H3/t8-
,9-
,11+,21-
,22-
/m0/s1
InChIKey
WMHYXAXGNZAMDO-AHIRLFQDSA-N
SMILES
[H][C@@]12C[C@@H](C(C)=O)[C@@]34C[C@]1([H])[C@@](OC)(C(=O)O2)C(O)=C3C(=O)c1c(O)cc(OC)c(O)c1C4=O
Metabolite of Species
Details
Streptomyces
sp.
(NCBI:txid1931)
Found in mycelium
(BTO:0001436)
. Me2CO extract of mycelial cake of strain RI 77 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
JBIR-85 (
CHEBI:69185
)
has role
metabolite (
CHEBI:25212
)
JBIR-85 (
CHEBI:69185
)
is a
anthraquinone (
CHEBI:22580
)
Citation
Type
Source
22145663
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:phenols(CHEBI:33853); ISA:methoxybenzene(CHEBI:51683); ISA:tetralins(CHEBI:36786); ISA:naphthalenes(CHEBI:25477); ISA:benzenetriol(CHEBI:22707); ISA:quinone(CHEBI:36141); ISA:aromatic ketone(CHEBI:76224); ISA:hydroquinones(CHEBI:24646); ISA:aromatic ether(CHEBI:35618); ISA:gamma-lactone(CHEBI:37581); ISA:oxolanes(CHEBI:26912); ISA:enol(CHEBI:33823); ISA:enone(CHEBI:51689); ISA:enol ether(CHEBI:47985); ISA:carboxylic ester(CHEBI:33308); ISA:polyol(CHEBI:26191); ISA:organonitrogen compound(CHEBI:35352); ISA:ether(CHEBI:25698); ISA:aromatic alcohol(CHEBI:33854);