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CHEBI:189103 - Handelin

ChEBI IDCHEBI:189103
ChEBI NameHandelin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H40O8
Net Charge0
Average Mass552.664
Monoisotopic Mass552.27232
SMILES[H][C@@]12CC=C(C)[C@]1([H])[C@@]1([H])OC(=O)[C@]3(C[C@@]45C=C[C@]3(C)[C@]4([H])[C@@]3([H])OC(=O)C(=C)[C@]3([H])CC[C@@]5(C)O)[C@]1([H])[C@@H](OC(C)=O)C[C@@]2(C)O
InChIInChI=1S/C32H40O8/c1-15-7-8-19-21(15)24-22(20(38-17(3)33)13-29(19,5)36)32(27(35)40-24)14-31-12-11-28(32,4)25(31)23-18(9-10-30(31,6)37)16(2)26(34)39-23/h7,11-12,18-25,36-37H,2,8-10,13-14H2,1,3-6H3/t18-,19+,20-,21-,22+,23-,24+,25-,28+,29+,30+,31-,32-/m0/s1
InChIKeySZQWAXGDCUONOB-QKARTHDOSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) leaf sheath (BTO:0005094) MetaboLights (MTBLS3518)
ChEBI Ontology
Outgoing Relation(s)
Handelin (CHEBI:189103) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
[(1'R,2'R,3R,3aR,4S,5'S,6R,6aR,9'S,9aR,9bR,10'S,11'R)-2',6-dihydroxy-2',6,9,11'-tetramethyl-6'-methylidene-2,7'-dioxospiro[4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]uran-3,15'-8-oxatetracyclo[9.2.2.01,10.05,9]pentadec-12-ene]-4-yl] acetate
Manual XrefsDatabases
34257850ChemSpider