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CHEBI:168711 - Myricatomentoside II

ChEBI IDCHEBI:168711
ChEBI NameMyricatomentoside II
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H34O11
Net Charge0
Average Mass534.558
Monoisotopic Mass534.21011
SMILESCOc1c2cc(c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1OC)CCCCC(=O)C(O)Cc1ccc(O)c-2c1
InChIInChI=1S/C27H34O11/c1-35-25-16-11-14(5-3-4-6-18(30)19(31)10-13-7-8-17(29)15(16)9-13)24(26(25)36-2)38-27-23(34)22(33)21(32)20(12-28)37-27/h7-9,11,19-23,27-29,31-34H,3-6,10,12H2,1-2H3/t19?,20-,21-,22+,23-,27+/m1/s1
InChIKeyBSILZSYJTIBPFN-CNFGNZGNSA-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)
Myricatomentoside II (CHEBI:168711) is a biphenyls (CHEBI:22888)
IUPAC Name 
3,8-dihydroxy-16,17-dimethoxy-15-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-9-one
Manual XrefsDatabases
8991455ChemSpider