CHEBI:203196 - Noscomin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Noscomin
ChEBI ID CHEBI:203196
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H38O4
Net Charge 0
Average Mass 426.597
Monoisotopic Mass 426.27701
InChI InChI=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
InChIKey HWGPBUBDNCZOBN-FVBFRTCBSA-N
SMILES O=C(O)C1=CC(=C(O)C=C1)C[C@]2([C@H]3C(=CC[C@H]2C)[C@]4([C@@H](C([C@H](O)CC4)(C)C)CC3)C)C
Metabolite of Species Details
Nostoc commune (NCBI:txid1178) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
8585662 ChemSpider
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