CHEBI:222481 - Fusaramin

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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 Fusaramin
ChEBI ID CHEBI:222481
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H39NO4
Net Charge 0
Average Mass 441.612
Monoisotopic Mass 441.28791
InChI InChI=1S/C27H39NO4/c1-6-17(2)14-19(4)16-20(5)15-18(3)12-13-22(29)23-26(31)24(28-27(23)32)25(30)21-10-8-7-9-11-21/h7-11,16-19,24-25,30-31H,6,12-15H2,1-5H3,(H,28,32)/b20-16+/t17?,18?,19?,24-,25-/m0/s1
InChIKey MRETWXDTCCOEHE-FCZMTWNNSA-N
SMILES O=C1N[C@@H]([C@@H](O)C2=CC=CC=C2)C(=C1C(=O)CCC(C/C(=C/C(CC(CC)C)C)/C)C)O
Metabolite of Species Details
Fusarium (NCBI:txid5506) See: PubMed
ChEBI Ontology
Outgoing Fusaramin (CHEBI:222481) is a diterpenoid (CHEBI:23849)
IUPAC Name
(2S)-3-hydroxy-2-[(S)-hydroxy(phenyl)methyl]-4-[(E)-4,6,8,10-tetramethyldodec-6-enoyl]-1,2-dihydropyrrol-5-one