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CHEBI:223936 - Campyridone C

ChEBI IDCHEBI:223936
ChEBI NameCampyridone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H31NO5
Net Charge0
Average Mass449.547
Monoisotopic Mass449.22022
SMILESCC=C[C@@H]1[C@H]2C[C@@H](C)CC[C@@H]2[C@@](C)(O)[C@@H]2Oc3c(-c4ccc(O)cc4)cnc(=O)c3C(=O)[C@@H]12
InChIInChI=1S/C27H31NO5/c1-4-5-17-18-12-14(2)6-11-20(18)27(3,32)25-21(17)23(30)22-24(33-25)19(13-28-26(22)31)15-7-9-16(29)10-8-15/h4-5,7-10,13-14,17-18,20-21,25,29,32H,6,11-12H2,1-3H3,(H,28,31)/t14-,17+,18+,20-,21+,25+,27+/m0/s1
InChIKeyPNTWBWUDGNXMNE-GUMUBYMOSA-N
Species of MetaboliteComponentSourceComments
Campylocarponspecies HDN13-307 (ncbitaxon:1837314) - DOI (10.1016/j.tet.2016.07.080)
ChEBI Ontology
Outgoing Relation(s)
Campyridone C (CHEBI:223936) is a organic heterotricyclic compound (CHEBI:26979)
Campyridone C (CHEBI:223936) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,10S,11R,12R,14S,17S,18R)-18-hydroxy-4-(4-hydroxyphenyl)-14,18-dimethyl-11-prop-1-enyl-2-oxa-6-azatetracyclo[8.8.0.03,8.012,17]octadeca-3(8),4-diene-7,9-dione