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CHEBI:197566 - Pyrrospirone A

ChEBI IDCHEBI:197566
ChEBI NamePyrrospirone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H39NO5
Net Charge0
Average Mass505.655
Monoisotopic Mass505.28282
SMILESCC1=C[C@H]2[C@@H]3C(=O)[C@]4(C[C@H]2O)C[C@@](O)(Cc2ccc(cc2)OC2[C@H]3[C@@H]1[C@]1(C)C[C@H](C)C[C@H](C)[C@@H]21)NC4=O
InChIInChI=1S/C31H39NO5/c1-15-9-16(2)25-26-23-22-20(10-17(3)24(23)29(25,4)11-15)21(33)13-30(27(22)34)14-31(36,32-28(30)35)12-18-5-7-19(37-26)8-6-18/h5-8,10,15-16,20-26,33,36H,9,11-14H2,1-4H3,(H,32,35)/t15-,16+,20-,21-,22+,23-,24-,25+,26?,29+,30+,31+/m1/s1
InChIKeyHECJLRHOFZNKOS-RWUCKCNRSA-N
Species of MetaboliteComponentSourceComments
Neonectria candida (ncbitaxon:1634535) - PubMed (18952424)
ChEBI Ontology
Outgoing Relation(s)
Pyrrospirone A (CHEBI:197566) is a prostanoid (CHEBI:26347)
IUPAC Name 
(1S,3R,4S,7S,8S,10R,12S,13R,21S,25S,26S)-3,21-dihydroxy-6,8,10,12-tetramethyl-15-oxa-22-azaheptacyclo[12.9.3.216,19.11,21.04,25.07,26.08,13]nonacosa-5,16,18,28-tetraene-23,24-dione