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CHEBI:210264 - Asperterpene I

ChEBI IDCHEBI:210264
ChEBI NameAsperterpene I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H40O9
Net Charge0
Average Mass508.608
Monoisotopic Mass508.26723
SMILESC=C1C[C@H]2[C@]3(C)CC[C@@H](O)C(C)(C)[C@H]3C(=O)[C@@H](O)[C@]2(C)[C@@H](C(=O)OC)[C@]1(C)C(=O)[C@](C)(O)C(=O)OC
InChIInChI=1S/C27H40O9/c1-13-12-14-24(4)11-10-15(28)23(2,3)17(24)16(29)19(30)26(14,6)18(20(31)35-8)25(13,5)21(32)27(7,34)22(33)36-9/h14-15,17-19,28,30,34H,1,10-12H2,2-9H3/t14-,15+,17+,18-,19+,24-,25+,26-,27-/m0/s1
InChIKeyIIUYCUAFSQXIAZ-XNCNABBASA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus (ncbitaxon:33178) - PubMed (30207465)
ChEBI Ontology
Outgoing Relation(s)
Asperterpene I (CHEBI:210264) is a oxo steroid (CHEBI:35789)
IUPAC Name 
methyl (1R,2S,4aS,4bS,7R,8aS,10S,10aS)-7,10-dihydroxy-2-[(2S)-2-hydroxy-3-methoxy-2-methyl-3-oxopropanoyl]-2,4b,8,8,10a-pentamethyl-3-methylidene-9-oxo-1,4,4a,5,6,7,8a,10-octahydrophenanthrene-1-carboxylate
Manual XrefsDatabases
78439135ChemSpider