CHEBI:214805 - Fendlerinine B

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ChEBI Name Fendlerinine B
ChEBI ID CHEBI:214805
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H39NO8
Net Charge 0
Average Mass 517.619
Monoisotopic Mass 517.26757
InChI InChI=1S/C28H39NO8/c1-15-22(36-6)21(25(33)34)16-12-29(13-19(30)31)24(32)20(16)23(15)37-14-18-27(4)10-7-9-26(2,3)17(27)8-11-28(18,5)35/h17-18,35H,7-14H2,1-6H3,(H,30,31)(H,33,34)/t17-,18+,27-,28+/m0/s1
InChIKey PXDWLLNSVIWIRA-UZLXAVLXSA-N
SMILES O=C1N(CC=2C1=C(OC[C@H]3[C@](O)(CC[C@@H]4[C@@]3(CCCC4(C)C)C)C)C(=C(OC)C2C(=O)O)C)CC(=O)O
Metabolite of Species Details
Hypoxylon (NCBI:txid42308) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Fendlerinine B (CHEBI:214805) is a methoxybenzoic acid (CHEBI:25238)
IUPAC Name
7-[[(1S,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]-2-(carboxymethyl)-5-methoxy-6-methyl-1-oxo-3H-isoindole-4-carboxylic acid
Manual Xref Database
78442153 ChemSpider
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