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CHEBI:191507 - Pyranodelphinin A

ChEBI IDCHEBI:191507
ChEBI NamePyranodelphinin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H33O16
Net Charge+1
Average Mass649.578
Monoisotopic Mass649.17631
SMILESCc1cc2c(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(-c3cc(O)c(O)c(O)c3)oc3cc(=[OH+])cc(o1)c32
InChIInChI=1S/C30H32O16/c1-9-3-13-19-16(42-9)6-12(31)7-17(19)44-27(11-4-14(32)21(35)15(33)5-11)28(13)46-30-26(40)24(38)22(36)18(45-30)8-41-29-25(39)23(37)20(34)10(2)43-29/h3-7,10,18,20,22-26,29-30,32-40H,8H2,1-2H3/p+1/t10-,18+,20-,22+,23+,24-,25+,26+,29+,30-/m0/s1
InChIKeyBLQGGUCBKRCYIY-QWIIXQASSA-O
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Pyranodelphinin A (CHEBI:191507) is a flavonoids (CHEBI:72544)
Pyranodelphinin A (CHEBI:191507) is a glycoside (CHEBI:24400)
IUPAC Name 
[7-methyl-3-(3,4,5-trihydroxyphenyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-ylidene]oxidanium