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Helminthosporoside a

  • Formula: C39H64O22

  • Molecular weight: 884.90

  • Smiles: CC1=C2CC(CCC2(CC(C1)OC3C(C(C(O3)C(CO)OC4C(C(C(O4)C(CO)O)O)O)O)O)C)C(=C)COC5C(C(C(O5)C(CO)OC6C(C(C(O6)C(CO)O)O)O)O)O

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Helminthosporoside a

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: Helminthosporoside a

  • First synonym: Helminthosporoside a

  • Synonyms: Helminthosporoside A,86413-81-2,C09679,CHEBI:5649,Q27106851,2-[(4aR,6R)-6-{[5-O-(beta-D-galactofuranosyl)-beta-D-galactofuranosyl]oxy}-4a,8-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-yl]prop-2-en-1-yl 5-O-beta-D-galactofuranosyl-beta-D-galactofuranoside

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Structure

  • Smiles: CC1=C2CC(CCC2(CC(C1)OC3C(C(C(O3)C(CO)OC4C(C(C(O4)C(CO)O)O)O)O)O)C)C(=C)COC5C(C(C(O5)C(CO)OC6C(C(C(O6)C(CO)O)O)O)O)O

  • Isomeric smiles: CC1=C2CC(CC[C@@]2(C[C@@H](C1)O[C@H]3[C@@H]([C@H]([C@@H](O3)[C@@H](CO)O[C@H]4[C@@H]([C@H]([C@@H](O4)[C@@H](CO)O)O)O)O)O)C)C(=C)CO[C@H]5[C@@H]([C@H]([C@@H](O5)[C@@H](CO)O[C@H]6[C@@H]([C@H]([C@@H](O6)[C@@H](CO)O)O)O)O)O

  • Inchi: InChI=1S/C39H64O22/c1-14-6-17(55-36-30(53)26(49)34(61-36)22(12-43)57-38-29(52)24(47)32(59-38)20(45)10-41)8-39(3)5-4-16(7-18(14)39)15(2)13-54-35-27(50)25(48)33(60-35)21(11-42)56-37-28(51)23(46)31(58-37)19(44)9-40/h16-17,19-38,40-53H,2,4-13H2,1,3H3/t16?,17-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38-,39-/m1/s1

  • Inchikey: USAJESQTSDBMKW-QQCQSHJHSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C39H64O22

  • Molecular weight: 884.90

  • Monoisotopic mass: 884.38892367

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