Halymecin A

Formula: C42H76O14
Molecular weight: 805.00
Smiles: CCCCCC(CC(CC(=O)OC(CCCCC)CC(CC(=O)OC(CCCCC)CC(CC(=O)OC(CCCCC)CC(CC(=O)O)O)OC(=O)C)O)O)O

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Halymecin A

Names

Structural Information

Physico-chemical Properties

ADME

Toxicity

Medical Chemistry

Fungi

Mycotoxin name: Halymecin A
First synonym: None
Synonyms: Halymecin A,(3R,5R)-5-[(3R,5R)-3-acetyloxy-5-[(3R,5R)-5-[(3R,5R)-3,5-dihydroxydecanoyl]oxy-3-hydroxydecanoyl]oxydecanoyl]oxy-3-hydroxydecanoic acid,(3R,5R)-5-(((3R,5R)-3-(acetyloxy)-5-(((3R,5R)-5-(((3R,5R)-3,5-dihydroxydecanoyl)oxy)-3-hydroxydecanoyl)oxy)decanoyl)oxy)-3-hydroxydecanoate,(3R,5R)-5-((3R,5R)-3-acetyloxy-5-((3R,5R)-5-((3R,5R)-3,5-dihydroxydecanoyl)oxy-3-hydroxydecanoyl)oxydecanoyl)oxy-3-hydroxydecanoic acid,(3R,5R)-5-{[(3R,5R)-3-(acetyloxy)-5-{[(3R,5R)-5-{[(3R,5R)-3,5-dihydroxydecanoyl]oxy}-3-hydroxydecanoyl]oxy}decanoyl]oxy}-3-hydroxydecanoate,CHEBI:202289

Smiles: CCCCCC(CC(CC(=O)OC(CCCCC)CC(CC(=O)OC(CCCCC)CC(CC(=O)OC(CCCCC)CC(CC(=O)O)O)OC(=O)C)O)O)O
Isomeric smiles: CCCCC[C@H](C[C@H](CC(=O)O[C@H](CCCCC)C[C@H](CC(=O)O[C@H](CCCCC)C[C@H](CC(=O)O[C@H](CCCCC)C[C@H](CC(=O)O)O)OC(=O)C)O)O)O
Inchi: InChI=1S/C42H76O14/c1-6-10-14-18-31(44)22-32(45)26-40(50)54-36(20-16-12-8-3)24-34(47)27-41(51)56-37(21-17-13-9-4)28-38(53-30(5)43)29-42(52)55-35(19-15-11-7-2)23-33(46)25-39(48)49/h31-38,44-47H,6-29H2,1-5H3,(H,48,49)/t31-,32-,33-,34-,35-,36-,37-,38-/m1/s1
Inchikey: OHOMGNIITZEKKL-NCUMTQOVSA-N

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Fungi id	Species
566	Fusarium sp. FE-71-1