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(11R)-carlactonoate

PropertiesImage
MNX_IDMNXM1378836 Image of MNXM1378836
referencechebi:194504
formulaC19H23O5
global charge-1
mol weight331.388
InChIKeyWUBRWXCVIPHXLX-XMAHBSJYSA-M
InChIInChI=1S/C19H24O5/c1-12-6-5-9-19(3,4)15(12)8-7-14(17(20)21)11-23-16-10-13(2)18(22)24-16/h7-8,10-11,16H,5-6,9H2,1-4H3,(H,20,21)/p-1/b8-7+,14-11+/t16-/m1/s1
SMILESCC1=C[C@H](O/C=C(\C=C\C2=C(C)CCCC2(C)C)C(=O)[O-])OC1=O
MNX internals
InChI (mnx)InChI=1/C19H24O5/c1-12-6-5-9-19(3,4)15(12)8-7-14(17(20)21)11-23-16-10-13(2)18(22)24-16/h7-8,10-11,16H,5-6,9H2,1-4H3,(H,20,21)/b8-7+,14-11+/t16-/m1/s1 Image of MNXM1378836
SMILES (mnx)[C:1]1([CH3:13])([CH3:14])[CH2:2][CH2:3][CH2:4][C:5]([CH3:15])=[C:6]1/[CH:7]=[CH:8]\[C:9](=[CH:10]\[CH2:12][C@@H:16]1[CH:17]=[C:18]([OH:22])[C:19](=[O:21])[O:20]1)[C:11]([OH:23])=[O:24]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:194504
chebi:194504
WUBRWXCVIPHXLX-XMAHBSJYSA-M 		(11R)-carlactonoate