Isororidin e

Formula: C29H38O8
Molecular weight: 514.60
Smiles: CC1=CC2C3(CC1)COC(=O)C=C(CCOC(C=CC=CC(=O)OC4C3(C5(CO5)C(C4)O2)C)C(C)O)C
Type: Trichothecene

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Isororidin e

Names

Structural Information

Physico-chemical Properties

ADME

Toxicity

Medical Chemistry

Fungi

Mycotoxin name: Isororidin e
First synonym: Isororidin e
Synonyms: ISORORIDIN E,64726-84-7,AI3-29709,Verrucarin A, 2',3'-didehydro-7'-deoxo-2'-deoxy-7'-(1-hydroxyethyl)-, (2'E,7'S(R))-

Smiles: CC1=CC2C3(CC1)COC(=O)C=C(CCOC(C=CC=CC(=O)OC4C3(C5(CO5)C(C4)O2)C)C(C)O)C
Isomeric smiles: CC1=C[C@@H]2[C@@]3(CC1)COC(=O)/C=C(\CCO[C@@H](/C=C\C=C/C(=O)O[C@H]4[C@]3([C@]5(CO5)[C@@H](C4)O2)C)[C@H](C)O)/C
Inchi: InChI=1S/C29H38O8/c1-18-9-11-28-16-34-26(32)14-19(2)10-12-33-21(20(3)30)7-5-6-8-25(31)37-22-15-24(36-23(28)13-18)29(17-35-29)27(22,28)4/h5-8,13-14,20-24,30H,9-12,15-17H2,1-4H3/b7-5-,8-6-,19-14-/t20-,21-,22+,23+,24+,27+,28+,29-/m0/s1
Inchikey: KEEQQEKLEZRLDS-CXJPQZSNSA-N

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