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CHEBI:203196 - Noscomin

ChEBI IDCHEBI:203196
ChEBI NameNoscomin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H38O4
Net Charge0
Average Mass426.597
Monoisotopic Mass426.27701
SMILESC[C@@H]1CC=C2[C@@H](CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]23C)[C@]1(C)Cc1cc(C(=O)O)ccc1O
InChIInChI=1S/C27H38O4/c1-16-6-8-19-20(9-11-22-25(2,3)23(29)12-13-26(19,22)4)27(16,5)15-18-14-17(24(30)31)7-10-21(18)28/h7-8,10,14,16,20,22-23,28-29H,6,9,11-13,15H2,1-5H3,(H,30,31)/t16-,20-,22-,23-,26+,27-/m1/s1
InChIKeyHWGPBUBDNCZOBN-FVBFRTCBSA-N
Species of MetaboliteComponentSourceComments
Nostoc commune (ncbitaxon:1178) - PubMed (10096870)
ChEBI Ontology
Outgoing Relation(s)
Noscomin (CHEBI:203196) is a diterpenoid (CHEBI:23849)
IUPAC Name 
3-[[(1R,2R,4bR,7R,8aS,10aS)-7-hydroxy-1,2,4b,8,8-pentamethyl-3,5,6,7,8a,9,10,10a-octahydro-2H-phenanthren-1-yl]methyl]-4-hydroxybenzoic acid
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