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CHEBI:198281 - Hawaiinolide G

ChEBI IDCHEBI:198281
ChEBI NameHawaiinolide G
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O5
Net Charge0
Average Mass348.439
Monoisotopic Mass348.19367
SMILESC=C[C@@H]1C(=C)CC[C@H]2[C@H]1CC(=O)[C@@]1(O)[C@@](C)(C(=O)O)[C@H](O)CC[C@]21C
InChIInChI=1S/C20H28O5/c1-5-12-11(2)6-7-14-13(12)10-16(22)20(25)18(14,3)9-8-15(21)19(20,4)17(23)24/h5,12-15,21,25H,1-2,6-10H2,3-4H3,(H,23,24)/t12-,13+,14+,15-,18-,19-,20+/m1/s1
InChIKeyBSSPIUBSZQCUDG-ULSGCFHNSA-N
Species of MetaboliteComponentSourceComments
Paracamarosporium hawaiiense (ncbitaxon:502129) - PubMed (25301775)
ChEBI Ontology
Outgoing Relation(s)
Hawaiinolide G (CHEBI:198281) is a steroid acid (CHEBI:47891)
IUPAC Name 
(1S,2R,4aR,4bS,8S,8aR,10aS)-8-ethenyl-2,10a-dihydroxy-1,4a-dimethyl-7-methylidene-10-oxo-3,4,4b,5,6,8,8a,9-octahydro-2H-phenanthrene-1-carboxylic acid
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