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CHEBI:220103 - Sesterfisheric acid

ChEBI IDCHEBI:220103
ChEBI NameSesterfisheric acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H40O3
Net Charge0
Average Mass388.592
Monoisotopic Mass388.29775
SMILESC/C1=C2\CC[C@@H](C)[C@@H]2CC[C@H](C)[C@H]2C[C@@]3(C(=O)O)CC[C@H](C(C)C)[C@@H]3C[C@]12O
InChIInChI=1S/C25H40O3/c1-14(2)18-10-11-24(23(26)27)12-21-16(4)7-8-19-15(3)6-9-20(19)17(5)25(21,28)13-22(18)24/h14-16,18-19,21-22,28H,6-13H2,1-5H3,(H,26,27)/b20-17-/t15-,16+,18-,19+,21-,22+,24+,25+/m1/s1
InChIKeySLCDJJDPKICHGM-ZIFIXUEUSA-N
Species of MetaboliteComponentSourceComments
Aspergillus oryzae (ncbitaxon:5062) - PubMed (26332841)
ChEBI Ontology
Outgoing Relation(s)
Sesterfisheric acid (CHEBI:220103) is a sesterterpenoid (CHEBI:26660)
Sesterfisheric acid (CHEBI:220103) is conjugate acid of sesterfisherate (CHEBI:228367)
Incoming Relation(s)
sesterfisherate (CHEBI:228367) is conjugate base of Sesterfisheric acid (CHEBI:220103)
IUPAC Name 
(1R,2Z,6R,7S,10S,11R,13S,16R,17S)-1-hydroxy-2,6,10-trimethyl-16-propan-2-yltetracyclo[9.7.0.03,7.013,17]octadec-2-ene-13-carboxylic acid
Manual XrefsDatabases
35517213ChemSpider