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CHEBI:168191 - (S)-Nerolidol 3-O-[a-L-Rhamnopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside]

ChEBI IDCHEBI:168191
ChEBI Name(S)-Nerolidol 3-O-[a-L-Rhamnopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H56O14
Net Charge0
Average Mass676.797
Monoisotopic Mass676.36701
SMILESC=CC(C)(CC/C=C(\C)CCC=C(C)C)OC1OC(CO)C(O)C(O)C1OC1OC(C)C(OC2OC(C)C(O)C(O)C2O)C(O)C1O
WURCSWURCS=2.0/2,3,2/[axxxxh-1x_1-5_1*OC^XCCC=^ECCCC=CC/11C/7C/3C=C/3C][axxxxm-1x_1-5]/1-2-2/a2-b1_b4-c1
InChIInChI=1S/C33H56O14/c1-8-33(7,14-10-13-17(4)12-9-11-16(2)3)47-32-29(24(38)22(36)20(15-34)44-32)46-31-27(41)25(39)28(19(6)43-31)45-30-26(40)23(37)21(35)18(5)42-30/h8,11,13,18-32,34-41H,1,9-10,12,14-15H2,2-7H3/b17-13+
InChIKeyNLQYAUOYHNMEPR-GHRIWEEISA-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)
(S)-Nerolidol 3-O-[a-L-Rhamnopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside] (CHEBI:168191) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
2-[6-[4,5-dihydroxy-6-(hydroxymethyl)-2-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Manual XrefsDatabases
HMDB0040845HMDB