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dehydroabietadienal

MNXM3578 is deprecated and here replaced by MNXM734769
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM734769 Image of MNXM734769
referencechebi:52487
formulaC20H28O
global charge0
mol weight284.443
InChIKeyYCLCHPWRGSDZKL-SLFFLAALSA-N
InChIInChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1
SMILESCC(C)C1=CC=C2C(=C1)CC[C@H]1[C@](C)(C=O)CCC[C@]21C
MNX internals
InChI (mnx)InChI=1/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1 Image of MNXM734769
SMILES (mnx)[CH3:1][CH:14]([CH3:2])[C:15]1=[CH:6][CH:8]=[C:17]2[C:16](=[CH:12]1)[CH2:7][CH2:9][C@H:18]1[C@:19]([CH3:3])([CH:13]=[O:21])[CH2:10][CH2:5][CH2:11][C@:20]21[CH3:4]
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

CHEBI:52487
chebi:52487
lipidmaps:LMPR0104050011
lipidmapsM:LMPR0104050011
YCLCHPWRGSDZKL-SLFFLAALSA-N 		dehydroabietadienal
Dehydroabietal
Dehydroabietic aldehyde
Dehydroabietinal
abieta-8,11,13-trien-18-al

sabiork.compound:28090
sabiorkM:28090
YCLCHPWRGSDZKL-SLFFLAALSA-N 		Dehydroabietadienal