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CHEBI:200029 - Rugulotrosin A

ChEBI IDCHEBI:200029
ChEBI NameRugulotrosin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H30O14
Net Charge0
Average Mass638.578
Monoisotopic Mass638.16356
SMILESCOC(=O)[C@@]12Oc3cc(C)c(-c4c(C)cc5c(c4O)C(O)=C4C(=O)CC[C@@H](O)[C@]4(C(=O)OC)O5)c(O)c3C(O)=C1C(=O)CC[C@H]2O
InChIInChI=1S/C32H30O14/c1-11-9-15-21(27(39)23-13(33)5-7-17(35)31(23,45-15)29(41)43-3)25(37)19(11)20-12(2)10-16-22(26(20)38)28(40)24-14(34)6-8-18(36)32(24,46-16)30(42)44-4/h9-10,17-18,35-40H,5-8H2,1-4H3/t17-,18-,31+,32+/m1/s1
InChIKeyFCBFXINPLHGRFE-OBXOASMOSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - PubMed (15104517)
ChEBI Ontology
Outgoing Relation(s)
Rugulotrosin A (CHEBI:200029) is a xanthenes (CHEBI:38835)
IUPAC Name 
methyl (4R,4aR)-7-[(5R,10aR)-1,5,9-trihydroxy-10a-methoxycarbonyl-3-methyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl]-4,8,9-trihydroxy-6-methyl-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylate
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78440064ChemSpider