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CHEBI:210515 - Metarhizin A

ChEBI IDCHEBI:210515
ChEBI NameMetarhizin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H50O6
Net Charge0
Average Mass542.757
Monoisotopic Mass542.36074
SMILESC=C1CC[C@H]2[C@](C)(CCC=C(C)C)[C@@H](OC(=O)[C@H](O)[C@@H](C)CC)CC[C@]2(C)[C@@H]1Cc1c(O)c(C)c(C)oc1=O
InChIInChI=1S/C33H50O6/c1-10-20(4)28(34)31(37)39-27-15-17-32(8)25(18-24-29(35)22(6)23(7)38-30(24)36)21(5)13-14-26(32)33(27,9)16-11-12-19(2)3/h12,20,25-28,34-35H,5,10-11,13-18H2,1-4,6-9H3/t20-,25+,26+,27-,28+,32+,33-/m0/s1
InChIKeyQIHPCGZZMBZAPA-MQMNVYNZSA-N
Species of MetaboliteComponentSourceComments
Metarhizium flavoviride (ncbitaxon:92630) - DOI (10.1016/j.tet.2008.11.014)
ChEBI Ontology
Outgoing Relation(s)
Metarhizin A (CHEBI:210515) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
[(1S,2S,4aR,5R,8aR)-5-[(4-hydroxy-5,6-dimethyl-2-oxopyran-3-yl)methyl]-1,4a-dimethyl-6-methylidene-1-(4-methylpent-3-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] (2R,3S)-2-hydroxy-3-methylpentanoate
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