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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:81275 - Lappaol C
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ChEBI Ontology
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ChEBI Name
Lappaol C
ChEBI ID
CHEBI:81275
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Molfile
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Formula
C30H34O10
Net Charge
0
Average Mass
554.58500
Monoisotopic Mass
554.21520
InChI
InChI=1S/C30H34O10/c1-
37-
25-
11-
16(4-
6-
23(25)
32)
9-
20-
19(15-
40-
30(20)
36)
8-
17-
10-
21(29(35)
27(12-
17)
39-
3)
22(14-
31)
28(34)
18-
5-
7-
24(33)
26(13-
18)
38-
2/h4-
7,10-
13,19-
20,22,28,31-
35H,8-
9,14-
15H2,1-
3H3/t19-
,20+,22?,28?/m0/s1
InChIKey
BWOAMGHNXHLWMX-BAOMQRJLSA-N
SMILES
COc1cc(C[C@@H]2[C@@H](Cc3cc(OC)c(O)c(c3)C(CO)C(O)c3ccc(O)c(OC)c3)COC2=O)ccc1O
ChEBI Ontology
Outgoing
Lappaol C (
CHEBI:81275
)
is a
lignan (
CHEBI:25036
)
Manual Xref
Database
C17686
KEGG COMPOUND
View more database links