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CHEBI:199688 - Tyromycic acid G

Default Structure
ChEBI IDCHEBI:199688
ChEBI NameTyromycic acid G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H46O5
Net Charge0
Average Mass510.715
Monoisotopic Mass510.33452
SMILESCC(=O)O[C@@H]1C=C2C(=CC[C@H]3C(C)(C)C(=O)CC[C@]23C)[C@]2(C)CC[C@H]([C@H](C)CC/C=C(/C)C(=O)O)[C@@]12C
InChIInChI=1S/C32H46O5/c1-19(10-9-11-20(2)28(35)36)22-14-17-31(7)23-12-13-25-29(4,5)26(34)15-16-30(25,6)24(23)18-27(32(22,31)8)37-21(3)33/h11-12,18-19,22,25,27H,9-10,13-17H2,1-8H3,(H,35,36)/b20-11-/t19-,22-,25+,27-,30-,31+,32+/m1/s1
InChIKeyYYFPTVMCDCOAEE-VRNRVWSKSA-N
Species of MetaboliteComponentSourceComments
Pappia fissilis (ncbitaxon:1040649) - PubMed (14646328)
ChEBI Ontology
Outgoing Relation(s)
Tyromycic acid G (CHEBI:199688) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(Z,6R)-6-[(5R,10S,12R,13R,14S,17R)-12-acetyloxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
Manual XrefsDatabases
9516148ChemSpider