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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:80714 - Rubratoxin B
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ChEBI Ontology
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ChEBI Name
Rubratoxin B
ChEBI ID
CHEBI:80714
Stars
This entity has been manually annotated by a third party.
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Formula
C26H30O11
Net Charge
0
Average Mass
518.50980
Monoisotopic Mass
518.17881
InChI
InChI=1S/C26H30O11/c1-
2-
3-
4-
5-
7-
15(27)
20-
18-
13(23(31)
36-
25(18)
33)
10-
12(21(29)
16-
8-
6-
9-
17(28)
35-
16)
11-
14-
19(22(20)
30)
26(34)
37-
24(14)
32/h6,9,12,15-
16,20-
22,27,29-
30H,2-
5,7-
8,10-
11H2,1H3/t12-
,15+,16-
,20+,21-
,22-
/m0/s1
InChIKey
ZJTBTDVZNGBSNG-RETZLTROSA-N
SMILES
CCCCCC[C@@H](O)[C@H]1[C@@H](O)C2=C(C[C@H](CC3=C1C(=O)OC3=O)[C@H](O)[C@@H]1CC=CC(=O)O1)C(=O)OC2=O
ChEBI Ontology
Outgoing
Rubratoxin B (
CHEBI:80714
)
is a
carbonyl compound (
CHEBI:36586
)
Manual Xref
Database
C16767
KEGG COMPOUND
View more database links
Registry Number
Type
Source
21794-01-4
CAS Registry Number
KEGG COMPOUND