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CHEBI:227727 - Terreustoxin J

ChEBI IDCHEBI:227727
ChEBI NameTerreustoxin J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H38O9
Net Charge0
Average Mass506.592
Monoisotopic Mass506.25158
SMILESC=C1C[C@H]2[C@]3(C)CCC(=O)C(C)(C)[C@H]3C(=O)[C@@H](O)[C@]2(C)[C@@H](C(=O)OC(C)C(=O)OC)[C@]1(C)C(=O)OC
InChIInChI=1S/C27H38O9/c1-13-12-15-25(5)11-10-16(28)24(3,4)18(25)17(29)20(30)27(15,7)19(26(13,6)23(33)35-9)22(32)36-14(2)21(31)34-8/h14-15,18-20,30H,1,10-12H2,2-9H3/t14?,15-,18+,19-,20+,25-,26+,27-/m0/s1
InChIKeyFVNVSTYAKOHNNS-DAOGOMQSSA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus (ncbitaxon:33178) - PubMed (31158603)
ChEBI Ontology
Outgoing Relation(s)
Terreustoxin J (CHEBI:227727) is a diterpenoid (CHEBI:23849)
IUPAC Name 
1-O-(1-methoxy-1-oxopropan-2-yl) 2-O-methyl (1R,2S,4aS,4bS,8aS,10S,10aS)-10-hydroxy-2,4b,8,8,10a-pentamethyl-3-methylidene-7,9-dioxo-4,4a,5,6,8a,10-hexahydro-1H-phenanthrene-1,2-dicarboxylate