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> Main
CHEBI:82560 - 7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
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ChEBI Ontology
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ChEBI Name
7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
ChEBI ID
CHEBI:82560
Stars
This entity has been manually annotated by a third party.
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Formula
C20H16O4S
Net Charge
0
Average Mass
352.40400
Monoisotopic Mass
352.07693
InChI
InChI=1S/C20H16O4S/c1-
13-
15-
7-
4-
5-
9-
17(15)
19(12-
24-
25(21,22)
23)
18-
11-
10-
14-
6-
2-
3-
8-
16(14)
20(13)
18/h2-
11H,12H2,1H3,(H,21,22,23)
InChIKey
WYUDBEMLROEPHR-UHFFFAOYSA-N
SMILES
Cc1c2ccccc2c(COS(O)(=O)=O)c2ccc3ccccc3c12
Roles Classification
Biological Role
(s):
xenobiotic
A xenobiotic (Greek,
xenos
"foreign";
bios
"life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
(via
phenanthrenes
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate (
CHEBI:82560
)
is a
phenanthrenes (
CHEBI:25961
)
Manual Xrefs
Databases
C19562
KEGG COMPOUND
HMDB0060420
HMDB
View more database links
Registry Number
Type
Source
80733-96-6
CAS Registry Number
KEGG COMPOUND