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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:8643 - Purpureacin-1
Main
ChEBI Ontology
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ChEBI Name
Purpureacin-1
ChEBI ID
CHEBI:8643
Stars
This entity has been manually annotated by a third party.
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Formula
C37H66O8
Net Charge
0
Average Mass
638.917
Monoisotopic Mass
638.47577
InChI
InChI=1S/C37H66O8/c1-
3-
4-
5-
6-
7-
8-
12-
15-
18-
31(39)
35-
23-
24-
36(45-
35)
33(41)
21-
20-
32(40)
34-
22-
19-
30(44-
34)
17-
14-
11-
9-
10-
13-
16-
29(38)
26-
28-
25-
27(2)
43-
37(28)
42/h25,27,29-
36,38-
41H,3-
24,26H2,1-
2H3
InChIKey
HKMBLJVHVBJAIH-UHFFFAOYSA-N
SMILES
CCCCCCCCCCC(O)C1CCC(O1)C(O)CCC(O)C1CCC(CCCCCCCC(O)CC2=CC(C)OC2=O)O1
ChEBI Ontology
Outgoing
Purpureacin-1 (
CHEBI:8643
)
is a
polyketide (
CHEBI:26188
)
Synonym
Source
Purpureacin-1
KEGG COMPOUND
Manual Xrefs
Databases
C00001320
KNApSAcK
C08505
KEGG COMPOUND
HMDB0034739
HMDB
View more database links
Registry Number
Type
Source
150134-21-7
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014