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CHEBI:231453 - isomeliandiol

ChEBI IDCHEBI:231453
ChEBI Nameisomeliandiol
Stars
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC30H48O5
Net Charge0
Average Mass488.709
Monoisotopic Mass488.35017
SMILES[H][C@]12CC[C@]3(C)C(=CC[C@@]3([H])[C@@H]3C[C@H]([C@@H]4OC4(C)C)OC3O)[C@]1(C)[C@H](O)C[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C30H48O5/c1-26(2)21-15-23(32)30(7)19-9-8-17(16-14-18(34-25(16)33)24-27(3,4)35-24)28(19,5)12-10-20(30)29(21,6)13-11-22(26)31/h9,16-18,20-25,31-33H,8,10-15H2,1-7H3/t16-,17-,18+,20+,21-,22-,23+,24-,25?,28-,29+,30-/m0/s1
InChIKeyBBEYJDHSMDJTPB-PNMIRTDWSA-N
ChEBI Ontology
Outgoing Relation(s)
isomeliandiol (CHEBI:231453) is a epoxide (CHEBI:32955)
isomeliandiol (CHEBI:231453) is a organic heterohexacyclic compound (CHEBI:51914)
isomeliandiol (CHEBI:231453) is a tetracyclic triterpenoid (CHEBI:26893)
Synonym  Source
apo-melianolSUBMITTER
UniProt Name  Source
isomeliandiolUniProt
Citations