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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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aignopsanoic acid A
Properties
Image
Occurences in reactions
MNX_ID
MNXM102405
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
15
H
22
O
3
charge
0
mass
250.15689
reference
chebi:69132
InChIKey
RIUVXDXRPZIYCQ-HRUWLGOTSA-N
InChI
InChI=1S/C15H22O3/c1-10-5-4-7-15(3)13(18)11(9-12(16)17)6-8-14(10,15)2/h9-10H,4-8H2,1-3H3,(H,16,17)/b11-9-/t10-,14+,15+/m0/s1
SMILES
C[C@H]1CCC[C@]2(C)C(=O)/C(=C\C(=O)O)CC[C@]12C
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
CHEBI:69132
chebi:69132
aignopsanoic acid A
(2Z)-2-[(4aR,5S,8aS)-4a,5,8a-trimethyl-1-oxo-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]acetic acid