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cembra-2,7,11-triene-4,6-diol

PropertiesImage
MNX_IDMNXM723671 Image of MNXM723671
referencechebi:525464
formulaC20H34O2
global charge0
mol weight306.49
InChIKeyRIVKDDXPCFBMOV-PTDQARIVSA-N
InChIInChI=1S/C20H34O2/c1-15(2)18-10-9-16(3)7-6-8-17(4)13-19(21)14-20(5,22)12-11-18/h7,11-13,15,18-19,21-22H,6,8-10,14H2,1-5H3/b12-11+,16-7+,17-13+/t18-,19+,20-/m1/s1
SMILESC/C1=C\[C@H](O)C[C@](C)(O)/C=C/[C@H](C(C)C)CC/C(C)=C/CC1
MNX internals
InChI (mnx)InChI=1/C20H34O2/c1-15(2)18-10-9-16(3)7-6-8-17(4)13-19(21)14-20(5,22)12-11-18/h7,11-13,15,18-19,21-22H,6,8-10,14H2,1-5H3/b12-11+,16-7+,17-13+/t18-,19+,20-/m1/s1 Image of MNXM723671
SMILES (mnx)[CH3:1][CH:15]([CH3:2])[C@@H:18]1[CH2:10][CH2:9]/[C:16]([CH3:3])=[CH:7]/[CH2:6][CH2:8]/[C:17]([CH3:4])=[CH:13]/[C@H:19]([OH:21])[CH2:14][C@:20]([CH3:5])([OH:22])/[CH:12]=[CH:11]/1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:525464
chebi:525464
RIVKDDXPCFBMOV-PTDQARIVSA-N 		cembra-2,7,11-triene-4,6-diol
(1S,2E,4S,6R,7E,11E)-2,7,11-cembratriene-4,6-diol
(1S,3R,4E,8E,12S,13E)-1,5,9-trimethyl-12-(propan-2-yl)cyclotetradeca-4,8,13-triene-1,3-diol
2,7,11-Cembratrien-4,6-diol

kegg.compound:C09072
keggC:C09072
RIVKDDXPCFBMOV-PTDQARIVSA-N 		2,7,11-Cembratrien-4,6-diol

seed.compound:cpd05968
seedM:cpd05968
RIVKDDXPCFBMOV-PTDQARIVSA-N 		2,7,11-Cembratrien-4,6-diol
2,7,11-cembratriene-4,6-diol, alpha-isomer
alpha-cembratriene-4,6-diol

metacyc.compound:CPD-18857
metacycM:CPD-18857
RIVKDDXPCFBMOV-PTDQARIVSA-N 		alpha-cembratriene-4,6-diol
2,7,11-cembratriene-4,6-diol, alpha-isomer

chebi:959
keggC:M_C09072
seedM:M_cpd05968 		secondary/obsolete/fantasy identifier