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CHEBI:225970 - Maunakeanolic acid B

ChEBI IDCHEBI:225970
ChEBI NameMaunakeanolic acid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H46O6
Net Charge0
Average Mass514.703
Monoisotopic Mass514.32944
SMILESCC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@]4(C)CCC(=O)[C@@H](C)[C@@H]4C[C@@H](O)[C@@]32C)/C1=C(\CCC=C(C)C)C(=O)O
InChIInChI=1S/C31H46O6/c1-17(2)9-8-10-20(28(35)36)27-21-11-12-25-29(5)14-13-23(33)18(3)22(29)15-26(34)31(25,7)30(21,6)16-24(27)37-19(4)32/h9,18,21-22,24-26,34H,8,10-16H2,1-7H3,(H,35,36)/b27-20-/t18-,21-,22-,24-,25-,26+,29-,30-,31+/m0/s1
InChIKeyKMRFKIHJAWOLOJ-FIOOAARESA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus (ncbitaxon:33178) - PubMed (32163285)
ChEBI Ontology
Outgoing Relation(s)
Maunakeanolic acid B (CHEBI:225970) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(2Z)-2-[(4S,5S,7R,8S,9S,10S,13R,14S,16S)-16-acetyloxy-7-hydroxy-4,8,10,14-tetramethyl-3-oxo-1,2,4,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid