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CHEBI:168323 - Cincassiol B

ChEBI IDCHEBI:168323
ChEBI NameCincassiol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O8
Net Charge0
Average Mass400.468
Monoisotopic Mass400.20972
SMILESCC1CCC2(O)C3(C)CC4(O)OC2(C1O)C1(O)C3(O)CC(O)(C(C)CO)C41C
InChIInChI=1S/C20H32O8/c1-10-5-6-16(24)13(3)8-18(26)14(4)15(23,11(2)7-21)9-17(13,25)20(14,27)19(16,28-18)12(10)22/h10-12,21-27H,5-9H2,1-4H3
InChIKeyLIGPZBKBGCJTGC-UHFFFAOYSA-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)
Cincassiol B (CHEBI:168323) is a diterpenoid (CHEBI:23849)
IUPAC Name 
11-(1-hydroxypropan-2-yl)-3,7,10-trimethyl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecane-2,6,9,11,13,14-hexol
Manual XrefsDatabases
HMDB0036855HMDB
35014277ChemSpider