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CHEBI:202021 - Phomarol

ChEBI IDCHEBI:202021
ChEBI NamePhomarol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O4
Net Charge0
Average Mass398.543
Monoisotopic Mass398.24571
SMILESC/C=C/[C@@H]1O[C@@H]2Cc3c(ccc4c3C[C@H](O)C[C@H](O)C4)[C@@H]3CC[C@H]([C@@]1(C)O)[C@@]23C
InChIInChI=1S/C25H34O4/c1-4-5-22-25(3,28)21-9-8-20-17-7-6-14-10-15(26)11-16(27)12-18(14)19(17)13-23(29-22)24(20,21)2/h4-7,15-16,20-23,26-28H,8-13H2,1-3H3/b5-4+/t15-,16-,20+,21+,22+,23-,24+,25-/m1/s1
InChIKeyIVFLABXZDZRHJH-LYVWAABPSA-N
Species of MetaboliteComponentSourceComments
Phomaspecies (ncbitaxon:1707701) - DOI (10.1016/j.tetlet.2016.05.050)
ChEBI Ontology
Outgoing Relation(s)
Phomarol (CHEBI:202021) is a organic heterotricyclic compound (CHEBI:26979)
Phomarol (CHEBI:202021) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,7R,9S,14R,16S,17R,18S,21S)-17,21-dimethyl-16-[(E)-prop-1-enyl]-15-oxapentacyclo[12.6.1.02,12.05,11.018,21]henicosa-2(12),3,5(11)-triene-7,9,17-triol
Manual XrefsDatabases
58196872ChemSpider