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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:4517 - Didrovaltratum
Main
ChEBI Ontology
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ChEBI Name
Didrovaltratum
ChEBI ID
CHEBI:4517
Stars
This entity has been manually annotated by a third party.
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Formula
C22H32O8
Net Charge
0
Average Mass
424.486
Monoisotopic Mass
424.20972
InChI
InChI=1S/C22H32O8/c1-
12(2)
6-
18(24)
26-
9-
15-
10-
27-
21(30-
19(25)
7-
13(3)
4)
20-
16(15)
8-
17(29-
14(5)
23)
22(20)
11-
28-
22/h10,12-
13,16-
17,20-
21H,6-
9,11H2,1-
5H3/t16-
,17+,20-
,21+,22-
/m1/s1
InChIKey
PHHROXLDZHUIGO-PNBTUHDLSA-N
SMILES
CC(C)CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2[C@@H]1C[C@H](OC(C)=O)[C@]21CO1
ChEBI Ontology
Outgoing
Didrovaltratum (
CHEBI:4517
)
is a
iridoid monoterpenoid (
CHEBI:50563
)
Synonyms
Sources
Didrovaltrate
KEGG COMPOUND
Didrovaltratum
KEGG COMPOUND
Manual Xrefs
Databases
C00003078
KNApSAcK
C09776
KEGG COMPOUND
View more database links
Registry Number
Type
Source
18296-45-2
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014