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CHEBI:183615 - Hippuristanacetal

Default Structure
ChEBI IDCHEBI:183615
ChEBI NameHippuristanacetal
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44O7
Net Charge0
Average Mass516.675
Monoisotopic Mass516.30870
SMILES[H][C@@]12CC[C@@]3([H])[C@]4([H])C[C@]5([H])OC6(C[C@H](C)C(C)(C)O6)[C@]6(C)OC(=O)[C@@]4(C[C@H](O)[C@]3([H])[C@@]1(C)CC[C@@H](OC(C)=O)C2)[C@@]65[H]
InChIInChI=1S/C30H44O7/c1-15-13-30(37-26(15,3)4)28(6)24-22(35-30)12-20-19-8-7-17-11-18(34-16(2)31)9-10-27(17,5)23(19)21(32)14-29(20,24)25(33)36-28/h15,17-24,32H,7-14H2,1-6H3/t15-,17-,18+,19-,20-,21-,22-,23+,24+,27-,28+,29+,30?/m0/s1
InChIKeyFBXCZFKRVKDTMI-XVDGUYACSA-N
Species of MetaboliteComponentSourceComments
Ganoderma lucidum (ncbitaxon:5315)
fruit body (BTO:0000487) MetaboLights (MTBLS3577)
primordium (BTO:0001886) MetaboLights (MTBLS3577)
ChEBI Ontology
Outgoing Relation(s)
Hippuristanacetal (CHEBI:183615) is a oxaspiro compound (CHEBI:37948)
Hippuristanacetal (CHEBI:183615) is a steroid (CHEBI:35341)
IUPAC Name 
[(1R,3S,3'S,4S,5S,8R,10S,13S,14S,16S,19R,22R)-3-hydroxy-2',2',3',5,19-pentamethyl-21-oxospiro[17,20-dioxahexacyclo[14.5.1.01,14.04,13.05,10.019,22]docosane-18,5'-oxolane]-8-yl] acetate
Manual XrefsDatabases
LMST01090005LIPID MAPS