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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:81104 - Alisol B
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ChEBI Ontology
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ChEBI Name
Alisol B
ChEBI ID
CHEBI:81104
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C30H48O4
Net Charge
0
Average Mass
472.69970
Monoisotopic Mass
472.35526
InChI
InChI=1S/C30H48O4/c1-
17(15-
21(32)
25-
27(4,5)
34-
25)
18-
9-
13-
29(7)
19(18)
16-
20(31)
24-
28(6)
12-
11-
23(33)
26(2,3)
22(28)
10-
14-
30(24,29)
8/h17,20-
22,24-
25,31-
32H,9-
16H2,1-
8H3/t17-
,20+,21+,22+,24+,25-
,28+,29+,30+/m1/s1
InChIKey
GBJKHDVRXAVITG-UNPOXIGHSA-N
SMILES
C[C@H]
(C[C@H]
(O)
[C@H]
1OC1(C)
C)
C1=C2C[C@H]
(O)
[C@H]
3[C@@]
4(C)
CCC(=O)
C(C)
(C)
[C@@H]
4CC[C@]
3(C)
[C@@]
2(C)
CC1
ChEBI Ontology
Outgoing
Alisol B (
CHEBI:81104
)
is a
triterpenoid (
CHEBI:36615
)
Manual Xref
Database
C17460
KEGG COMPOUND
View more database links
Registry Number
Type
Source
18649-93-9
CAS Registry Number
KEGG COMPOUND