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neoabietadiene

PropertiesImage
MNX_IDMNXM5848 Image of MNXM5848
referencechebi:29651
formulaC20H32
global charge0
mol weight272.476
InChIKeyMRRHSEMHYVQUFK-CMKODMSKSA-N
InChIInChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h13,17-18H,6-12H2,1-5H3/t17-,18-,20+/m0/s1
SMILESCC(C)=C1C=C2CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1
MNX internals
InChI (mnx)InChI=1/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h13,17-18H,6-12H2,1-5H3/t17-,18-,20+/m0/s1 Image of MNXM5848
SMILES (mnx)[C:1]12=[CH:16]/[C:10](=[C:13](\[CH3:17])[CH3:18])[CH2:12][CH2:11][C@@H:9]1[C@:5]1([CH3:15])[C@H:4]([CH2:3][CH2:2]2)[C:19]([CH3:14])([CH3:20])[CH2:8][CH2:7][CH2:6]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:29651
chebi:29651
MRRHSEMHYVQUFK-CMKODMSKSA-N 		neoabietadiene
Neoabietadiene
abieta-8(14),13(15)-diene

kegg.compound:C11880
keggC:C11880
lipidmaps:LMPR0104050003
lipidmapsM:LMPR0104050003
MRRHSEMHYVQUFK-CMKODMSKSA-N 		Neoabietadiene

seed.compound:cpd08678
seedM:cpd08678
MRRHSEMHYVQUFK-CMKODMSKSA-N 		Neoabietadiene
neoabietadiene

metacyc.compound:CPD-8696
metacycM:CPD-8696
MRRHSEMHYVQUFK-NKUTVCTDSA-N 		neoabietadiene

keggC:M_C11880
seedM:M_cpd08678 		secondary/obsolete/fantasy identifier