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alpha-cembratriene-ol

MNXM491233 is deprecated and here replaced by MNXM1107407
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1107407 Image of MNXM1107407
referencemetacycM:CPD-18854
formulaC20H34O
global charge0
mol weight290.491
InChIKeyYAPXSYXFLHDPCK-ZNHPEVNCSA-N
InChIInChI=1S/C20H34O/c1-16(2)19-12-11-18(4)9-6-8-17(3)10-7-14-20(5,21)15-13-19/h9-10,13,15-16,19,21H,6-8,11-12,14H2,1-5H3/b15-13+,17-10+,18-9+/t19-,20+/m1/s1
SMILESC/C1=C\CC[C@](C)(O)/C=C/[C@H](C(C)C)CC/C(C)=C/CC1
MNX internals
InChI (mnx)InChI=1/C20H34O/c1-16(2)19-12-11-18(4)9-6-8-17(3)10-7-14-20(5,21)15-13-19/h9-10,13,15-16,19,21H,6-8,11-12,14H2,1-5H3/b15-13+,17-10+,18-9+/t19-,20+/m1/s1 Image of MNXM1107407
SMILES (mnx)[CH3:1][CH:16]([CH3:2])[C@@H:19]1[CH2:12][CH2:11]/[C:18]([CH3:4])=[CH:9]/[CH2:6][CH2:8]/[C:17]([CH3:3])=[CH:10]/[CH2:7][CH2:14][C@:20]([CH3:5])([OH:21])/[CH:15]=[CH:13]/1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-18854
metacycM:CPD-18854
seed.compound:cpd35055
seedM:cpd35055
YAPXSYXFLHDPCK-ZNHPEVNCSA-N 		alpha-cembratriene-ol

seedM:M_cpd35055 		secondary/obsolete/fantasy identifier