CHEBI:219678 - Naphthgeranine C

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Naphthgeranine C
ChEBI ID CHEBI:219678
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H20O7
Net Charge 0
Average Mass 372.373
Monoisotopic Mass 372.12090
InChI InChI=1S/C20H20O7/c1-20(2)12-6-13(23)8(7-21)3-10(12)16-17(25)11-4-9(22)5-14(24)15(11)18(26)19(16)27-20/h3-5,10,12-13,21-24H,6-7H2,1-2H3/t10-,12+,13+/m1/s1
InChIKey SAUXNHFIRMCZCG-WXHSDQCUSA-N
SMILES O=C1C=2OC([C@H]3C[C@H](O)C(=C[C@H]3C2C(=O)C=4C1=C(O)C=C(O)C4)CO)(C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Naphthgeranine C (CHEBI:219678) is a organic heterotricyclic compound (CHEBI:26979)
Naphthgeranine C (CHEBI:219678) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3S,4aS,12bR)-3,8,10-trihydroxy-2-(hydroxymethyl)-5,5-dimethyl-3,4,4a,12b-tetrahydronaphtho[2,3-c]isochromene-7,12-dione
Manual Xref Database
116630 ChemSpider
View more database links