Search MNXref
 Feedback

abieta-7,13-dien-18-al

MNXM1718 is deprecated and here replaced by MNXM490943
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM490943 Image of MNXM490943
referencechebi:29509
formulaC20H30O
global charge0
mol weight286.459
InChIKeyHOFSYSONRIGEAC-LWYYNNOASA-N
InChIInChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12-14,17-18H,5-6,8-11H2,1-4H3/t17-,18-,19-,20+/m0/s1
SMILESCC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C=O)[C@H]2CC1
MNX internals
InChI (mnx)InChI=1/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12-14,17-18H,5-6,8-11H2,1-4H3/t17-,18-,19-,20+/m0/s1 Image of MNXM490943
SMILES (mnx)[CH3:1][CH:14]([CH3:2])[C:15]1=[CH:12][C:16]2=[CH:7][CH2:9][C@H:18]3[C@:19]([CH3:3])([CH:13]=[O:21])[CH2:10][CH2:5][CH2:11][C@:20]3([CH3:4])[C@H:17]2[CH2:8][CH2:6]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)50
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:29509
chebi:29509
HOFSYSONRIGEAC-LWYYNNOASA-N 		abieta-7,13-dien-18-al
Abietal
Abietaldehyde
Abietinal
abietadienal
abietal

sabiork.compound:28088
sabiorkM:28088
HOFSYSONRIGEAC-LWYYNNOASA-N 		Abietadienal

kegg.compound:C11887
keggC:C11887
HOFSYSONRIGEAC-LWYYNNOASA-N 		Abietal
(1R,4aR,4bR,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carbaldehyde
Abieta-7,13-dien-18-al
Abietaldehyde
Abietinal

seed.compound:cpd08685
seedM:cpd08685
HOFSYSONRIGEAC-LWYYNNOASA-N 		Abietal
(1R,4aR,4bR,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carbaldehyde
Abietaldehyde
Abietinal
abieta-7,13-diene-18-al
abietadienal
abietal
abietaldehyde
abietinal
hmdb:HMDB0034735
HOFSYSONRIGEAC-LWYYNNOASA-N 		Abietinal
(1R,4AR,4BR,10ar)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carbaldehyde
(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carbaldehyde
13-Isopropylpodocarpa-7,13-diene-15-aldehyde
7,13-Abietadien-18-al
Abieta-7,13-dien-18-al
Abietadienal
Abietaldehyde
abietadienal

metacyc.compound:CPD-8693
metacycM:CPD-8693
HOFSYSONRIGEAC-LWYYNNOASA-N 		abieta-7,13-diene-18-al
(1R,4aR,4bR,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carbaldehyde
abietadienal
abietal
abietaldehyde
abietinal

hmdb:HMDB34735
chebi:656032
keggC:M_C11887
seedM:M_cpd08685 		secondary/obsolete/fantasy identifier