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CHEBI:227145 - Tyromycic acid D

Default Structure
ChEBI IDCHEBI:227145
ChEBI NameTyromycic acid D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44O4
Net Charge0
Average Mass468.678
Monoisotopic Mass468.32396
SMILESC/C(=C/CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=C[C@@H](O)[C@]12C)C(=O)O
InChIInChI=1S/C30H44O4/c1-18(9-8-10-19(2)26(33)34)20-13-16-29(6)21-11-12-23-27(3,4)24(31)14-15-28(23,5)22(21)17-25(32)30(20,29)7/h10-11,17-18,20,23,25,32H,8-9,12-16H2,1-7H3,(H,33,34)/b19-10-/t18-,20-,23+,25-,28-,29+,30+/m1/s1
InChIKeyMUYQNDWZUCOTJV-RMYJVROOSA-N
Species of MetaboliteComponentSourceComments
Pappia fissilis (ncbitaxon:1040649) - PubMed (14987050)
ChEBI Ontology
Outgoing Relation(s)
Tyromycic acid D (CHEBI:227145) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(Z,6R)-6-[(5R,10S,12R,13R,14S,17R)-12-hydroxy-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
10183470ChemSpider