CHEBI:211466 - Fendlerin A

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ChEBI Name Fendlerin A
ChEBI ID CHEBI:211466
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H44O8
Net Charge 0
Average Mass 520.663
Monoisotopic Mass 520.30362
InChI InChI=1S/C29H44O8/c1-16-22(32-6)20-19(26(35-9)37-24(20)30)21(25(33-7)34-8)23(16)36-15-18-28(4)13-10-12-27(2,3)17(28)11-14-29(18,5)31/h17-18,25-26,31H,10-15H2,1-9H3/t17-,18+,26+,28-,29+/m0/s1
InChIKey FFMYTMXOELNYRK-CBRDXIRRSA-N
SMILES O=C1O[C@@H](OC)C=2C1=C(OC)C(=C(OC[C@H]3[C@](O)(CC[C@@H]4[C@@]3(CCCC4(C)C)C)C)C2C(OC)OC)C
Metabolite of Species Details
Hypoxylon (NCBI:txid42308) See: PubMed
ChEBI Ontology
Outgoing Fendlerin A (CHEBI:211466) is a benzofurans (CHEBI:35259)
IUPAC Name
(3R)-5-[[(1S,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]-4-(dimethoxymethyl)-3,7-dimethoxy-6-methyl-3H-2-benzouran-1-one