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CHEBI:206485 - 16-O-alpha-D-tetraacetylglucopyranosyl hymatoxin C

ChEBI IDCHEBI:206485
ChEBI Name16-O-alpha-D-tetraacetylglucopyranosyl hymatoxin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H50O12
Net Charge0
Average Mass650.762
Monoisotopic Mass650.33023
SMILESCC(=O)OCC1OC(OCC[C@@]2(C)CC[C@H]3C(=CC[C@@H]4[C@]3(C)CCC[C@]4(C)C(=O)O)C2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C34H50O12/c1-19(35)42-18-25-27(43-20(2)36)28(44-21(3)37)29(45-22(4)38)30(46-25)41-16-15-32(5)14-11-24-23(17-32)9-10-26-33(24,6)12-8-13-34(26,7)31(39)40/h9,24-30H,8,10-18H2,1-7H3,(H,39,40)/t24-,25?,26+,27?,28?,29?,30?,32+,33+,34-/m0/s1
InChIKeyMXNIPMIDOUSAGP-BLDXFDTFSA-N
Species of MetaboliteComponentSourceComments
Tubercularia (ncbitaxon:29876) - PubMed (19140072)
ChEBI Ontology
Outgoing Relation(s)
16-O-alpha-D-tetraacetylglucopyranosyl hymatoxin C (CHEBI:206485) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
(1S,4aR,4bS,7S,10aR)-1,4a,7-trimethyl-7-[2-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
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78445240ChemSpider