EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:200187 - Xantholipin

ChEBI IDCHEBI:200187
ChEBI NameXantholipin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H18ClNO10
Net Charge0
Average Mass551.891
Monoisotopic Mass551.06192
SMILESCOc1c(Cl)ccc2c(=O)c3c(O)c4c5c(c3oc12)OCO[C@@H]5C[C@@H]1C(=O)c2cc(C)nc(=O)c2C(=O)[C@]41O
InChIInChI=1S/C27H18ClNO10/c1-8-5-10-14(26(34)29-8)25(33)27(35)11(18(10)30)6-13-15-17(27)20(32)16-19(31)9-3-4-12(28)22(36-2)21(9)39-24(16)23(15)38-7-37-13/h3-5,11,13,32,35H,6-7H2,1-2H3,(H,29,34)/t11-,13-,27-/m1/s1
InChIKeyHSVRTPZWHMWONP-JUEDDRGBSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - DOI (10.1016/s0040-4039(03)01318-2)
ChEBI Ontology
Outgoing Relation(s)
Xantholipin (CHEBI:200187) is a xanthones (CHEBI:51149)
IUPAC Name 
(2R,11S,13R)-22-chloro-2,28-dihydroxy-21-methoxy-7-methyl-14,16,19-trioxa-6-azaheptacyclo[15.11.1.02,11.04,9.013,29.018,27.020,25]nonacosa-1(29),4(9),7,17,20(25),21,23,27-octaene-3,5,10,26-tetrone
Manual XrefsDatabases
9181348ChemSpider