CHEBI:206846 - Naphthablin C

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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 Naphthablin C
ChEBI ID CHEBI:206846
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H34O9
Net Charge 0
Average Mass 526.582
Monoisotopic Mass 526.22028
InChI InChI=1S/C29H34O9/c1-11(2)26(33)36-17-9-15-13(7-12(17)3)18-21(31)14-8-16(30)20-23(37-25-27(34)35-10-29(20,25)6)19(14)22(32)24(18)38-28(15,4)5/h8,11-13,15,17,25,27,30,34H,7,9-10H2,1-6H3/t12-,13-,15+,17+,25-,27+,29-/m1/s1
InChIKey JSRBXSCKRHOJOA-MPUJPLSISA-N
SMILES O=C1C=2OC([C@H]3C[C@H](OC(=O)C(C)C)[C@@H](C[C@H]3C2C(=O)C4=C1C=5O[C@@H]6[C@H](OC[C@@]6(C5C(=C4)O)C)O)C)(C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Naphthablin C (CHEBI:206846) is a organic heterotricyclic compound (CHEBI:26979)
Naphthablin C (CHEBI:206846) is a organooxygen compound (CHEBI:36963)
IUPAC Name
[(4R,6R,7S,9S,17S,18S,21S)-18,23-dihydroxy-6,10,10,21-tetramethyl-2,13-dioxo-11,16,19-trioxahexacyclo[12.10.0.03,12.04,9.015,22.017,21]tetracosa-1(24),3(12),14,22-tetraen-7-yl] 2-methylpropanoate
Manual Xref Database
61708491 ChemSpider
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