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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:81271 - Neoarctin A
Main
ChEBI Ontology
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ChEBI Name
Neoarctin A
ChEBI ID
CHEBI:81271
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C42H46O12
Net Charge
0
Average Mass
742.80740
Monoisotopic Mass
742.29893
InChI
InChI=1S/C42H46O12/c1-
46-
32-
10-
7-
24(17-
35(32)
47-
2)
13-
28-
22-
52-
41(44)
30(28)
15-
25-
8-
11-
33(36(18-
25)
48-
3)
54-
34-
12-
9-
26(19-
37(34)
49-
4)
16-
31-
29(23-
53-
42(31)
45)
14-
27-
20-
38(50-
5)
40(43)
39(21-
27)
51-
6/h7-
12,17-
21,28-
31,43H,13-
16,22-
23H2,1-
6H3
InChIKey
UZWZHUIBKPSRGH-UHFFFAOYSA-N
SMILES
COc1ccc(CC2COC(=O)C2Cc2ccc(Oc3ccc(CC4C(Cc5cc(OC)c(O)c(OC)c5)COC4=O)cc3OC)c(OC)c2)cc1OC
ChEBI Ontology
Outgoing
Neoarctin A (
CHEBI:81271
)
is a
lignan (
CHEBI:25036
)
Manual Xref
Database
C17682
KEGG COMPOUND
View more database links