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Rhizoxin

  • Formula: C35H47NO9

  • Molecular weight: 625.70

  • Smiles: CC1C=CC2C(O2)(C(CC(OC(=O)C3C(O3)CC4CC1OC(=O)C4)C(C)C(C(=CC=CC(=CC5=COC(=N5)C)C)C)OC)O)C

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Rhizoxin

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

Names

  • Mycotoxin name: Rhizoxin

  • First synonym: Rhizoxin

  • Synonyms: Rhizoxin,Antibiotic WF-1360,WF-1360,90996-54-6,UNII-C1V1Y784E4,CHEBI:72590,C1V1Y784E4,(1S,3S,5R,8S,10S,11R,13R,14E,16R,17R)-10-hydroxy-8-[(2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-11,16-dimethyl-4,7,12,18-tetraoxatetracyclo[15.3.1.0(3,5).0(11,13)]henicos-14-ene-6,19-dione,(1S,3S,5R,8S,10S,11R,13R,16R,17R,E)-10-hydroxy-8-((2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyloxazol-4-yl)nona-4,6,8-trien-2-yl)-11,16-dimethyl-4,7,12,18-tetraoxatetracyclo[15.3.1.03,5.011,13]henicos-14-ene-6,19-dione,NSC 332598,BRN 5692896,NSC332598,NSC-332598,SCHEMBL15955,CHEMBL379989,DTXSID20897515,CRC-87/01,FR-900216,E-87/010,Q10861060,(1S,3S,5R,8S,10S,11R,13R,14E,16R,17R)-10-hydroxy-8-[(2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-11,16-dimethyl-4,7,12,18-tetraoxatetracyclo[15.3.1.03,5.011,13]henicos-14-ene-6,19-dione,4,7,12,18-Tetraoxatetracyclo[15.3.1.03,5.011,13]heneicos-14-ene-6,19-dione, 10-hydroxy-8-[(1S,2R,3E,5E,7E)-2-methoxy-1,3,7-trimethyl-8-(2-methyl-4-oxazolyl)-3,5,7-octatrienyl]-11,16-dimethyl-, (1S,3S,5R,8S,10S,11R,13R,16S,17R)-,hydroxy-[(1S,2R,3E,5E,7E)-2-methoxy-1,3,7-trimethyl-8-(2-methyloxazol-4-yl)octa-3,5,7-trienyl]-dimethyl-[?]dione

Identifiers / External links

Structure

  • Smiles: CC1C=CC2C(O2)(C(CC(OC(=O)C3C(O3)CC4CC1OC(=O)C4)C(C)C(C(=CC=CC(=CC5=COC(=N5)C)C)C)OC)O)C

  • Isomeric smiles: C[C@@H]1/C=C/[C@@H]2[C@](O2)([C@H](C[C@H](OC(=O)[C@H]3[C@@H](O3)C[C@@H]4C[C@H]1OC(=O)C4)[C@H](C)[C@H](/C(=C/C=C/C(=C/C5=COC(=N5)C)/C)/C)OC)O)C

  • Inchi: InChI=1S/C35H47NO9/c1-19(13-25-18-41-23(5)36-25)9-8-10-21(3)32(40-7)22(4)27-17-29(37)35(6)30(45-35)12-11-20(2)26-14-24(16-31(38)42-26)15-28-33(43-28)34(39)44-27/h8-13,18,20,22,24,26-30,32-33,37H,14-17H2,1-7H3/b9-8+,12-11+,19-13+,21-10+/t20-,22+,24+,26-,27+,28+,29+,30-,32+,33-,35-/m1/s1

  • Inchikey: OWPCHSCAPHNHAV-QIPOKPRISA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C35H47NO9

  • Molecular weight: 625.70

  • Monoisotopic mass: 625.32508208

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