CHEBI:211456 - Fendleral A

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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 Fendleral A
ChEBI ID CHEBI:211456
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H38O7
Net Charge 0
Average Mass 474.594
Monoisotopic Mass 474.26175
InChI InChI=1S/C27H38O7/c1-15-21(16(13-28)19-20(22(15)31-6)23(29)34-24(19)32-7)33-14-18-26(4)11-8-10-25(2,3)17(26)9-12-27(18,5)30/h13,17-18,24,30H,8-12,14H2,1-7H3/t17-,18+,24-,26-,27+/m0/s1
InChIKey WCEYFJYCSFTFGR-KVSQTDFZSA-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=O)C
Metabolite of Species Details
Hypoxylon (NCBI:txid42308) See: PubMed
ChEBI Ontology
Outgoing Fendleral A (CHEBI:211456) is a benzofurans (CHEBI:35259)
IUPAC Name
(3S)-5-[[(1S,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]-3,7-dimethoxy-6-methyl-1-oxo-3H-2-benzouran-4-carbaldehyde