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CHEBI:219734 - Arthripenoid B

ChEBI IDCHEBI:219734
ChEBI NameArthripenoid B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O9
Net Charge0
Average Mass550.689
Monoisotopic Mass550.31418
SMILESCC[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)c1cc(O)c2c(c1O)O[C@]1(C)CC[C@H]3O[C@@H](C(C)(C)O)C[C@H](O)[C@]3(C)[C@H]1[C@@H]2O
InChIInChI=1S/C30H46O9/c1-9-14(2)25(37-16(4)31)15(3)17-12-18(32)22-24(35)27-29(7,39-26(22)23(17)34)11-10-20-30(27,8)19(33)13-21(38-20)28(5,6)36/h12,14-15,19-21,24-25,27,32-36H,9-11,13H2,1-8H3/t14-,15+,19+,20-,21-,24-,25-,27+,29-,30+/m1/s1
InChIKeyGCSXMSVUGMLMMY-YWXLCRCFSA-N
Species of MetaboliteComponentSourceComments
Arthrinium (ncbitaxon:112177) - PubMed (29797385)
ChEBI Ontology
Outgoing Relation(s)
Arthripenoid B (CHEBI:219734) is a xanthenes (CHEBI:38835)
IUPAC Name 
[(2S,3R,4R)-2-[(1S,3R,4aR,6aR,12S,12aS,12bS)-1,8,11,12-tetrahydroxy-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-9-yl]-4-methylhexan-3-yl] acetate
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78439906ChemSpider