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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
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CHEBI:81385 - Scopoloside II
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ChEBI Ontology
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ChEBI Name
Scopoloside II
ChEBI ID
CHEBI:81385
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C39H62O15
Net Charge
0
Average Mass
770.90060
Monoisotopic Mass
770.40887
InChI
InChI=1S/C39H62O15/c1-
16-
11-
24(42)
39(49-
15-
16)
17(2)
25-
34(54-
39)
28(44)
26-
20-
6-
5-
18-
12-
19(7-
9-
37(18,3)
21(20)
8-
10-
38(25,26)
4)
50-
35-
32(48)
30(46)
33(23(14-
41)
52-
35)
53-
36-
31(47)
29(45)
27(43)
22(13-
40)
51-
36/h5,16-
17,19-
36,40-
48H,6-
15H2,1-
4H3
InChIKey
JIVFLIFXUQEQBB-UHFFFAOYSA-N
SMILES
CC1C2C(OC11OCC(C)CC1O)C(O)C1C3CC=C4CC(CCC4(C)C3CCC21C)OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O
ChEBI Ontology
Outgoing
Scopoloside II (
CHEBI:81385
)
is a
triterpenoid (
CHEBI:36615
)
Manual Xref
Database
C17922
KEGG COMPOUND
View more database links