CHEBI:200685 - Spirocardin B

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 Spirocardin B
ChEBI ID CHEBI:200685
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H32O6
Net Charge 0
Average Mass 368.470
Monoisotopic Mass 368.21989
InChI InChI=1S/C20H32O6/c1-11-6-5-7-13-18(3,12(2)16(24)17(25)19(11,13)4)8-14(22)20(10-26-20)15(23)9-21/h6,12-16,21-24H,5,7-10H2,1-4H3
InChIKey PDPQILPMCDOHDB-UHFFFAOYSA-N
SMILES O=C1C2(C(=CCCC2C(CC(O)C3(OC3)C(O)CO)(C)C(C1O)C)C)C
Metabolite of Species Details
Nocardia (NCBI:txid1817) See: PubMed
ChEBI Ontology
Outgoing Spirocardin B (CHEBI:200685) is a diterpenoid (CHEBI:23849)
IUPAC Name
4-[2-[2-(1,2-dihydroxyethyl)oxiran-2-yl]-2-hydroxyethyl]-2-hydroxy-3,4,8,8a-tetramethyl-3,4a,5,6-tetrahydro-2H-naphthalen-1-one
Manual Xref Database
112991 ChemSpider
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