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pentalenate

MNXM20344 is deprecated and here replaced by MNXM1108026
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1108026 Image of MNXM1108026
referencemetacycM:CPDMETA-13643
formulaC15H21O3
global charge-1
mol weight249.33
InChIKeyWBLTVUMJMJIOGQ-SQNUXNPBSA-M
InChIInChI=1S/C15H22O3/c1-8-4-5-10-9(13(17)18)6-11-12(16)14(2,3)7-15(8,10)11/h6,8,10-12,16H,4-5,7H2,1-3H3,(H,17,18)/p-1/t8-,10+,11?,12-,15+/m1/s1
SMILESC[C@@H]1CC[C@H]2C(C(=O)[O-])=CC3[C@@H](O)C(C)(C)C[C@]312
MNX internals
InChI (mnx)InChI=1/C15H22O3/c1-8-4-5-10-9(13(17)18)6-11-12(16)14(2,3)7-15(8,10)11/h6,8,10-12,16H,4-5,7H2,1-3H3,(H,17,18)/t8-,10+,11?,12-,15+/m1/s1 Image of MNXM1108026
SMILES (mnx)[CH3:1][C@@H:8]1[CH2:4][CH2:5][C@H:10]2[C:9]([C:13](=[O:17])[OH:18])=[CH:6][CH:11]3[C@@H:12]([OH:16])[C:14]([CH3:2])([CH3:3])[CH2:7][C@:15]123
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPDMETA-13643
metacycM:CPDMETA-13643
seed.compound:cpd26621
seedM:cpd26621
WBLTVUMJMJIOGQ-SQNUXNPBSA-M 		pentalenate
pentalenic acid

seedM:M_cpd26621 		secondary/obsolete/fantasy identifier