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CHEBI:225570 - Berkleasmin F

ChEBI IDCHEBI:225570
ChEBI NameBerkleasmin F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O7
Net Charge0
Average Mass520.707
Monoisotopic Mass520.34000
SMILESCCCCCC[C@@H](C=C(C)[C@@H](O)[C@@H](C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)CC(=C(C)CO)C(=O)[C@H]3O[C@@]312)CO
InChIInChI=1S/C30H48O7/c1-7-8-9-10-11-22(17-32)14-18(2)25(33)21(5)28(35)36-24-13-12-20(4)29(6)15-23(19(3)16-31)26(34)27-30(24,29)37-27/h14,20-22,24-25,27,31-33H,7-13,15-17H2,1-6H3/t20-,21+,22-,24+,25+,27+,29+,30+/m0/s1
InChIKeyIXRROYUXUCVNJP-MWZJSBPPSA-N
Species of MetaboliteComponentSourceComments
Paraphaeosphaeriaspecies TR-022 (ncbitaxon:1781237) - PubMed (27328869)
ChEBI Ontology
Outgoing Relation(s)
Berkleasmin F (CHEBI:225570) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
[(1aS,4aR,5S,8R,8aR)-3-(1-hydroxypropan-2-ylidene)-4a,5-dimethyl-2-oxo-1a,4,5,6,7,8-hexahydronaphtho[8,8a-b]oxiren-8-yl] (2R,3S,6S)-3-hydroxy-6-(hydroxymethyl)-2,4-dimethyldodec-4-enoate
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