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ChEBI
> Main
CHEBI:3581 - Chasmanthin
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ChEBI Ontology
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ChEBI Name
Chasmanthin
ChEBI ID
CHEBI:3581
Stars
This entity has been manually annotated by a third party.
Supplier Information
ZINC000004097885
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Formula
C20H22O7
Net Charge
0
Average Mass
374.385
Monoisotopic Mass
374.13655
InChI
InChI=1S/C20H22O7/c1-
18-
7-
11(9-
4-
6-
24-
8-
9)
25-
16(21)
10(18)
3-
5-
19(2)
14(18)
12-
13-
15(26-
13)
20(19,23)
17(22)
27-
12/h4,6,8,10-
15,23H,3,5,7H2,1-
2H3/t10-
,11+,12+,13-
,14-
,15-
,18+,19+,20-
/m0/s1
InChIKey
TXOMRNMZLZXJQP-OQDMGONLSA-N
SMILES
C[C@@]12C[C@@H](OC(=O)[C@@H]1CC[C@]1(C)[C@H]2[C@@H]2OC(=O)[C@@]1(O)[C@H]1O[C@@H]21)c1ccoc1
ChEBI Ontology
Outgoing
Chasmanthin (
CHEBI:3581
)
is a
organic heterotricyclic compound (
CHEBI:26979
)
Chasmanthin (
CHEBI:3581
)
is a
organooxygen compound (
CHEBI:36963
)
Synonym
Source
Chasmanthin
KEGG COMPOUND
Manual Xrefs
Databases
C00003413
KNApSAcK
C09073
KEGG COMPOUND
View more database links
Registry Number
Type
Source
20379-19-5
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014