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iron*
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InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:140148 - rubrolone
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ChEBI Ontology
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ChEBI Name
rubrolone
ChEBI ID
CHEBI:140148
Stars
This entity has been manually annotated by a third party.
Supplier Information
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SDF
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Formula
C23H23NO8
Net Charge
0
Average Mass
441.432
Monoisotopic Mass
441.14237
InChI
InChI=1S/C23H23NO8/c1-
4-
5-
12-
15-
10(6-
8(2)
24-
12)
14-
11(18(15)
27)
7-
13(25)
16-
20(19(14)
28)
32-
22-
23(16,30)
21(29)
17(26)
9(3)
31-
22/h6-
7,9,17,21-
22,24,26,29-
30H,4-
5H2,1-
3H3
InChIKey
PBLXMLFSQXRIOJ-UHFFFAOYSA-N
SMILES
O1C2OC3=C(C2(O)C(O)C(O)C1C)C(=O)C=C4C(C3=O)=C5C(C4=O)=C(N(C(=C5)C)[H])CCC
ChEBI Ontology
Outgoing
rubrolone (
CHEBI:140148
)
is a
furopyran (
CHEBI:74927
)
Manual Xref
Database
4591126
ChemSpider
View more database links
Last Modified
14 February 2018