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CHEBI:169400 - Cinnzeylanol

ChEBI IDCHEBI:169400
ChEBI NameCinnzeylanol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O7
Net Charge0
Average Mass384.469
Monoisotopic Mass384.21480
SMILESCC(C)[C@@]1(O)C[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5([C@H](O)[C@@H](C)CC[C@]35O)[C@@]2(O)[C@@]41C
InChIInChI=1S/C20H32O7/c1-10(2)15(22)9-17(24)13(4)8-18(25)14(15,5)20(17,26)19(27-18)12(21)11(3)6-7-16(13,19)23/h10-12,21-26H,6-9H2,1-5H3/t11-,12+,13-,14+,15-,16-,17+,18-,19+,20+/m0/s1
InChIKeyTVHZPQAYPSOHQT-AEOFTGFYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Cinnzeylanol (CHEBI:169400) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R,2R,3S,6S,7R,9S,10S,11S,13R,14R)-3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecane-2,6,9,11,13,14-hexol
Manual XrefsDatabases
23326975ChemSpider
Registry NumbersSources
CAS:62394-04-1ChemIDplus