Fusacandin a

Formula: C51H74O21
Molecular weight: 1023.10
Smiles: CCCCCC=CC=CC(CC=CC=CC(=O)OC1C(C(OC(C1OC2C(C(C(C(O2)COC(=O)C=CC=CCCCCC)O)O)OC3C(C(C(C(O3)CO)O)O)O)CO)C4=C(C=C(C=C4O)O)CO)O)O

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Fusacandin a

Names

Structural Information

Physico-chemical Properties

ADME

Toxicity

Medical Chemistry

Fungi

Mycotoxin name: Fusacandin a
First synonym: Fusacandin a
Synonyms: Fusacandin A,166407-33-6,[(2S,3S,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-6-[[(2E,4Z)-deca-2,4-dienoyl]oxymethyl]-4,5-dihydroxy-3-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[2,4-dihydroxy-6-(hydroxymethyl)phenyl]-3-hydroxy-6-(hydroxymethyl)oxan-4-yl] (2E,4E,8E,10E)-7-hydroxyhexadeca-2,4,8,10-tetraenoate,[(2S,3S,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-6-[[(2E,4Z)-deca-2,4-dienoyl]oxymethyl]-4,5-dihydroxy-3-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-[2,4-dihydroxy-6-(hydroxymethyl)phenyl]-3-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] (2E,4E,8E,10E)-7-hydroxyhexadeca-2,4,8,10-tetraenoate,D-Glucitol, O-.beta.-D-galactopyranosyl-(1.fwdarw.2)-O-6-O-[(2E,4Z)-1-oxo-2,4-decadienyl]-.beta.-D-galactopyranosyl-(1.fwdarw.3)-1,5-anhydro-1-C-[2,4-dihydroxy-6-(hydroxymethyl)phenyl]-, 3-[(2E,4E,7S,8E,10E)-7-hydroxy-2,4,8,10-hexadecatetraenoate],D-Glucitol, O-beta-D-galactopyranosyl-(1-2)-O-6-O-((2E,4Z)-1-oxo-2,4-decadienyl)-beta-D-galactopyranosyl-(1-3)-1,5-anhydro-1-C-(2,4-dihydroxy-6-(hydroxymethyl)phenyl)-, 3-((2E,4E,7S,8E,10E)-7-hydroxy-2,4,8,10-hexadecatetraenoate)

Smiles: CCCCCC=CC=CC(CC=CC=CC(=O)OC1C(C(OC(C1OC2C(C(C(C(O2)COC(=O)C=CC=CCCCCC)O)O)OC3C(C(C(C(O3)CO)O)O)O)CO)C4=C(C=C(C=C4O)O)CO)O)O
Isomeric smiles: CCCCC/C=C/C=C/C(C/C=C/C=C/C(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)/C=C/C=C\CCCCC)O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@@H](O3)CO)O)O)O)CO)C4=C(C=C(C=C4O)O)CO)O)O
Inchi: InChI=1S/C51H74O21/c1-3-5-7-9-11-13-16-20-31(55)21-17-15-19-23-38(59)70-48-45(65)47(39-30(26-52)24-32(56)25-33(39)57)67-35(28-54)46(48)71-51-49(72-50-44(64)42(62)40(60)34(27-53)68-50)43(63)41(61)36(69-51)29-66-37(58)22-18-14-12-10-8-6-4-2/h11-20,22-25,31,34-36,40-57,60-65H,3-10,21,26-29H2,1-2H3/b13-11+,14-12-,17-15+,20-16+,22-18+,23-19+/t31?,34-,35+,36+,40-,41-,42-,43-,44+,45-,46+,47-,48+,49+,50-,51-/m0/s1
Inchikey: XRQGNAQBXJWDHO-BPNMBZMZSA-N

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Fungi id	Species
557	Fusarium sambucinum AB 1910A-1314