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CHEBI:206735 - 12beta-acetoxyganoderic acid theta

Default Structure
ChEBI IDCHEBI:206735
ChEBI Name12beta-acetoxyganoderic acid theta
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H44O9
Net Charge0
Average Mass572.695
Monoisotopic Mass572.29853
SMILESCC(=O)O[C@@H]1C(=O)C2=C(C(=O)CC3C(C)(C)[C@@H](O)CC[C@]23C)[C@]2(C)C(=O)C[C@H](C(C)C[C@H](O)/C=C(\C)C(=O)O)[C@@]12C
InChIInChI=1S/C32H44O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h12,15,18-19,21-22,27,34,36H,9-11,13-14H2,1-8H3,(H,39,40)/b16-12+/t15?,18-,19+,21?,22-,27+,30-,31-,32-/m0/s1
InChIKeyBKJXUOMYUFTMPD-NBQLUSTJSA-N
Species of MetaboliteComponentSourceComments
Ganoderma lucidum (ncbitaxon:5315) - PubMed (30995041)
ChEBI Ontology
Outgoing Relation(s)
12beta-acetoxyganoderic acid theta (CHEBI:206735) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(E,4S)-6-[(3S,10S,12S,13R,14R,17R)-12-acetyloxy-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-4-hydroxy-2-methylhept-2-enoic acid