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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:80794 - Arundoin
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ChEBI Ontology
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ChEBI Name
Arundoin
ChEBI ID
CHEBI:80794
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C31H52O
Net Charge
0
Average Mass
440.74400
Monoisotopic Mass
440.40182
InChI
InChI=1S/C31H52O/c1-
20(2)
21-
10-
13-
25-
29(21,6)
18-
19-
30(7)
23-
11-
12-
24-
27(3,4)
26(32-
9)
15-
16-
28(24,5)
22(23)
14-
17-
31(25,30)
8/h14,20-
21,23-
26H,10-
13,15-
19H2,1-
9H3/t21-
,23+,24+,25-
,26+,28-
,29-
,30-
,31+/m1/s1
InChIKey
MRNPHCMRIQYRFU-KXUMSINMSA-N
SMILES
CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3C2=CC[C@@]2(C)[C@@H]4CC[C@H](C(C)C)[C@@]4(C)CC[C@]32C)C1(C)C
ChEBI Ontology
Outgoing
Arundoin (
CHEBI:80794
)
is a
triterpenoid (
CHEBI:36615
)
Manual Xref
Database
C16916
KEGG COMPOUND
View more database links