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CHEBI:205507 - Scabronine H

ChEBI IDCHEBI:205507
ChEBI NameScabronine H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H36O5
Net Charge0
Average Mass440.580
Monoisotopic Mass440.25627
SMILESC[C@@H](CO)C1=C2[C@H]3C[C@H](O)C(COC(=O)c4ccccc4)=C[C@H](O)[C@]3(C)CC[C@@]2(C)CC1
InChIInChI=1S/C27H36O5/c1-17(15-28)20-9-10-26(2)11-12-27(3)21(24(20)26)14-22(29)19(13-23(27)30)16-32-25(31)18-7-5-4-6-8-18/h4-8,13,17,21-23,28-30H,9-12,14-16H2,1-3H3/t17-,21+,22-,23-,26+,27+/m0/s1
InChIKeyQZEMMWXYJUKIBS-GIXUWZPISA-N
Species of MetaboliteComponentSourceComments
Sarcodon scabrosus (ncbitaxon:178525) - DOI (10.1002/hlca.200490259)
ChEBI Ontology
Outgoing Relation(s)
Scabronine H (CHEBI:205507) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(3aR,5aR,6S,9S,10aR)-6,9-dihydroxy-1-[(2R)-1-hydroxypropan-2-yl]-3a,5a-dimethyl-2,3,4,5,6,9,10,10a-octahydrocyclohepta[e]inden-8-yl]methyl benzoate
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26631958ChemSpider