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CHEBI:219753 - Arthripenoid E

ChEBI IDCHEBI:219753
ChEBI NameArthripenoid E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H45NO9
Net Charge0
Average Mass563.688
Monoisotopic Mass563.30943
SMILESCC[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)C1=C(N)C(=O)C2=C(O[C@]3(C)CC[C@H]4O[C@@H](C(C)(C)O)C[C@H](O)[C@]4(C)[C@H]3[C@@H]2O)C1=O
InChIInChI=1S/C30H45NO9/c1-9-13(2)25(38-15(4)32)14(3)19-21(31)22(34)20-24(36)27-29(7,40-26(20)23(19)35)11-10-17-30(27,8)16(33)12-18(39-17)28(5,6)37/h13-14,16-18,24-25,27,33,36-37H,9-12,31H2,1-8H3/t13-,14+,16+,17-,18-,24-,25-,27+,29-,30+/m1/s1
InChIKeyUWVDLSYBNGFSIM-HJKQHHPISA-N
Species of MetaboliteComponentSourceComments
Arthrinium (ncbitaxon:112177) - PubMed (29797385)
ChEBI Ontology
Outgoing Relation(s)
Arthripenoid E (CHEBI:219753) is a oxanes (CHEBI:46942)
IUPAC Name 
[(2S,3R,4R)-2-[(1S,3R,4aR,6aR,12S,12aS,12bS)-10-amino-1,12-dihydroxy-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-9-yl]-4-methylhexan-3-yl] acetate
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78439909ChemSpider