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CHEBI:217183 - Metarhizin B

ChEBI IDCHEBI:217183
ChEBI NameMetarhizin B
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SubmitterMetaboLights
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FormulaC32H48O6
Net Charge0
Average Mass528.730
Monoisotopic Mass528.34509
SMILESC=C1CC[C@H]2[C@](C)(CCC=C(C)C)[C@@H](OC(=O)[C@H](O)C(C)C)CC[C@]2(C)[C@@H]1Cc1c(O)c(C)c(C)oc1=O
InChIInChI=1S/C32H48O6/c1-18(2)11-10-15-32(9)25-13-12-20(5)24(17-23-28(34)21(6)22(7)37-29(23)35)31(25,8)16-14-26(32)38-30(36)27(33)19(3)4/h11,19,24-27,33-34H,5,10,12-17H2,1-4,6-9H3/t24-,25-,26+,27-,31-,32+/m1/s1
InChIKeyXDYDDEKCBXMMDK-ZZAVWAEYSA-N
Species of MetaboliteComponentSourceComments
Metarhizium flavoviride (ncbitaxon:92630) - DOI (10.1016/j.tet.2008.11.014)
ChEBI Ontology
Outgoing Relation(s)
Metarhizin B (CHEBI:217183) 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)-2-hydroxy-3-methylbutanoate
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