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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
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CHEBI:4704 - Dothistromin
Main
ChEBI Ontology
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ChEBI Name
Dothistromin
ChEBI ID
CHEBI:4704
Stars
This entity has been manually annotated by a third party.
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Formula
C18H12O9
Net Charge
0
Average Mass
372.283
Monoisotopic Mass
372.04813
InChI
InChI=1S/C18H12O9/c19-
6-
1-
2-
7(20)
12-
11(6)
14(22)
5-
3-
8-
13(16(24)
10(5)
15(12)
23)
18(25)
4-
9(21)
27-
17(18)
26-
8/h1-
3,9,17,19-
21,24-
25H,4H2/t9-
,17+,18-
/m1/s1
InChIKey
FBPGRTYADYGYRG-AHBCHLHISA-N
SMILES
O[C@H]1C[C@]2(O)[C@H](O1)Oc1cc3C(=O)c4c(O)ccc(O)c4C(=O)c3c(O)c21
ChEBI Ontology
Outgoing
Dothistromin (
CHEBI:4704
)
is a
anthraquinone (
CHEBI:22580
)
Synonym
Source
Dothistromin
KEGG COMPOUND
Manual Xrefs
Databases
C00002817
KNApSAcK
C10334
KEGG COMPOUND
View more database links
Registry Number
Type
Source
31456-72-1
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014