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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
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CHEBI:81068 - Shikonin
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ChEBI Ontology
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ChEBI Name
Shikonin
ChEBI ID
CHEBI:81068
Stars
This entity has been manually annotated by a third party.
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Formula
C16H16O5
Net Charge
0
Average Mass
288.29520
Monoisotopic Mass
288.09977
InChI
InChI=1S/C16H16O5/c1-
8(2)
3-
4-
10(17)
9-
7-
13(20)
14-
11(18)
5-
6-
12(19)
15(14)
16(9)
21/h3,5-
7,10,17-
19H,4H2,1-
2H3/t10-
/m1/s1
InChIKey
NEZONWMXZKDMKF-SNVBAGLBSA-N
SMILES
CC(C)=CC[C@@H](O)C1=CC(=O)c2c(O)ccc(O)c2C1=O
ChEBI Ontology
Outgoing
Shikonin (
CHEBI:81068
)
is a
hydroxy-1,4-naphthoquinone (
CHEBI:132157
)
Manual Xrefs
Databases
C17412
KEGG COMPOUND
LSM-6309
LINCS
View more database links
Registry Number
Type
Source
517-89-5
CAS Registry Number
KEGG COMPOUND
Last Modified
09 June 2016