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CHEBI:205245 - Chaetophenol E

ChEBI IDCHEBI:205245
ChEBI NameChaetophenol E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H40O6
Net Charge0
Average Mass520.666
Monoisotopic Mass520.28249
SMILESCC(=O)Cc1c(CC=C(C)C)c(O)c(C)c2c1C[C@]13COC(C)=CC1=C(CC=C(C)C)C(=O)[C@@H](C)[C@]3(O)O2
InChIInChI=1S/C32H40O6/c1-17(2)9-11-23-25(13-19(5)33)26-15-31-16-37-20(6)14-27(31)24(12-10-18(3)4)29(35)22(8)32(31,36)38-30(26)21(7)28(23)34/h9-10,14,22,34,36H,11-13,15-16H2,1-8H3/t22-,31+,32+/m1/s1
InChIKeyUPWXGWVQVIMIHL-PDXWSVEKSA-N
Species of MetaboliteComponentSourceComments
Dichotomopilus indicus (ncbitaxon:1934381) - PubMed (23767797)
ChEBI Ontology
Outgoing Relation(s)
Chaetophenol E (CHEBI:205245) is a xanthenes (CHEBI:38835)
IUPAC Name 
(1R,10S,11R)-6,10-dihydroxy-7,11,16-trimethyl-5,13-bis(3-methylbut-2-enyl)-4-(2-oxopropyl)-9,17-dioxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),4,6,13,15-pentaen-12-one