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CHEBI:214694 - Verticillin H

ChEBI IDCHEBI:214694
ChEBI NameVerticillin H
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FormulaC32H32N6O6S4
Net Charge0
Average Mass724.912
Monoisotopic Mass724.12662
SMILESCC[C@@]12SS[C@]3(C(=O)N1C)[C@@H](O)[C@]1(C45c6ccccc6N[C@@H]4N4C(=O)[C@@]6(CC)SS[C@@]4(C(=O)N6C)[C@H]5O)c4ccccc4N[C@@H]1N3C2=O
InChIInChI=1S/C32H32N6O6S4/c1-5-27-23(41)37-21-29(15-11-7-9-13-17(15)33-21,19(39)31(37,47-45-27)25(43)35(27)3)30-16-12-8-10-14-18(16)34-22(30)38-24(42)28(6-2)36(4)26(44)32(38,20(30)40)48-46-28/h7-14,19-22,33-34,39-40H,5-6H2,1-4H3/t19-,20-,21+,22+,27-,28+,29+,30?,31-,32+/m0/s1
InChIKeyIWXDBCBSCQWNSZ-QBFDXWPBSA-N
ChEBI Ontology
Outgoing Relation(s)
Verticillin H (CHEBI:214694) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1S,2S,3S,11R,14S)-14-ethyl-3-[(1R,2S,3S,11R,14R)-14-ethyl-2-hydroxy-18-methyl-13,17-dioxo-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-trien-3-yl]-2-hydroxy-18-methyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione