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CHEBI:225940 - Higginsianin E

ChEBI IDCHEBI:225940
ChEBI NameHigginsianin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42O5
Net Charge0
Average Mass458.639
Monoisotopic Mass458.30322
SMILESC=C1CC[C@H]2[C@](C)(CCC=C(C)C)[C@H](O)CC[C@]2(C)[C@@H]1C[C@@]1(C(=O)OC)OC(C)=C(C)C1=O
InChIInChI=1S/C28H42O5/c1-17(2)10-9-14-27(7)22-12-11-18(3)21(26(22,6)15-13-23(27)29)16-28(25(31)32-8)24(30)19(4)20(5)33-28/h10,21-23,29H,3,9,11-16H2,1-2,4-8H3/t21-,22-,23-,26-,27+,28-/m1/s1
InChIKeyWZUFZZRYXAGLOG-ZPDDIMPJSA-N
Species of MetaboliteComponentSourceComments
Colletotrichum higginsianum (ncbitaxon:80884) - PubMed (32191467)
ChEBI Ontology
Outgoing Relation(s)
Higginsianin E (CHEBI:225940) is a diterpenoid (CHEBI:23849)
IUPAC Name 
methyl (2R)-2-[[(1R,4aR,5S,6R,8aR)-6-hydroxy-5,8a-dimethyl-2-methylidene-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-4,5-dimethyl-3-oxouran-2-carboxylate