EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:218529 - Antcamphin J

ChEBI IDCHEBI:218529
ChEBI NameAntcamphin J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H40O5
Net Charge0
Average Mass468.634
Monoisotopic Mass468.28757
SMILESC=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3=O)[C@@H](C)C(=O)O
InChIInChI=1S/C29H40O5/c1-15(17(3)27(33)34)7-8-16(2)19-9-10-20-25-23(31)13-21-18(4)22(30)11-12-28(21,5)26(25)24(32)14-29(19,20)6/h16-21H,1,7-14H2,2-6H3,(H,33,34)/t16-,17-,18+,19-,20+,21+,28+,29-/m1/s1
InChIKeyDVORYMAGXQGBQK-IXXHGVNUSA-N
Species of MetaboliteComponentSourceComments
Taiwanofungus camphoratus (ncbitaxon:2696576) - PubMed (24387703)
ChEBI Ontology
Outgoing Relation(s)
Antcamphin J (CHEBI:218529) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(2R,6R)-2-methyl-3-methylidene-6-[(4S,5S,10S,13R,14R,17R)-4,10,13-trimethyl-3,7,11-trioxo-1,2,4,5,6,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid
Manual XrefsDatabases
31129172ChemSpider