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CHEBI:211467 - Rosellin B

ChEBI IDCHEBI:211467
ChEBI NameRosellin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H39N3O18
Net Charge0
Average Mass753.667
Monoisotopic Mass753.22286
SMILESCC(=O)OC[C@H]1O[C@@H](Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(C(=O)C=c3nc(=O)c4n(c3=O)[C@@H](OC(C)=O)CCC=4)c2N)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C32H39N3O18/c1-11(37)48-10-20-24(41)26(43)28(45)32(53-20)51-18-7-13(50-31-27(44)25(42)23(40)19(9-36)52-31)6-14(22(18)33)17(39)8-15-30(47)35-16(29(46)34-15)4-3-5-21(35)49-12(2)38/h4,6-8,19-21,23-28,31-32,36,40-45H,3,5,9-10,33H2,1-2H3,(H,34,46)/t19-,20-,21+,23-,24-,25+,26+,27-,28-,31-,32-/m1/s1
InChIKeyPINKFKLAIDRZAC-SAWDJMNHSA-N
Species of MetaboliteComponentSourceComments
Mycena rosella (ncbitaxon:1033263) - DOI (10.1016/j.tet.2018.06.049)
ChEBI Ontology
Outgoing Relation(s)
Rosellin B (CHEBI:211467) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2R,3S,4S,5R,6S)-6-[3-[2-[(6S)-6-acetyloxy-1,4-dioxo-7,8-dihydro-6H-pyrido[1,2-a]pyrazin-3-ylidene]acetyl]-2-amino-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate