(Q27134857)

CHEBI:66313 (English)

(1R,4S,5R,6R,9S,11R,14S,15R,16R,19S)-5,15-dihydroxy-6,16-bis(sulfanyl)-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docosane-2,8,12,18-tetrone

7 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₈H₂₀N₂O₆S₄

1 reference

CHEBI:66313 (English)

7 October 2016

canonical SMILES

C1C(C(C2C(C1=O)CC34N2C(=O)C5(CC6C(N5C3=O)C(C(CC6=O)S)O)SS4)O)S

1 reference

CHEBI:66313 (English)

7 October 2016

isomeric SMILES

C1[C@H]([C@@H]([C@H]2[C@@H](C1=O)C[C@]34N2C(=O)[C@@]5(C[C@H]6[C@@H](N5C3=O)[C@H]([C@@H](CC6=O)S)O)SS4)O)S

1 reference

CHEBI:66313 (English)

Isolation and structure assignments of rostratins A-D, cytotoxic disulfides produced by the marine-derived fungus Exserohilum rostratum

7 October 2016

found in taxon

Exserohilum rostratum

1 reference

stated in

Identifiers

InChI

InChI=1S/C18H20N2O6S4/c21-7-1-9(27)13(23)11-5(7)3-17-15(25)20-12-6(8(22)2-10(28)14(12)24)4-18(20,30-29-17)16(26)19(11)17/h5-6,9-14,23-24,27-28H,1-4H2/t5-,6-,9-,10-,11-,12-,13+,14+,17-,18-/m1/s1

1 reference

CHEBI:66313 (English)

GCSPJPVOPHGWRM-XPMVLQEKSA-N

7 October 2016

InChIKey

2 references

CHEBI:66313 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

rostratin D (English)

7 October 2016

2 references

CHEBI:66313 (English)

matched by identifier from

7 October 2016

InChIKey

GCSPJPVOPHGWRM-XPMVLQEKSA-N

Reaxys registry number

10741156

1 reference

rostratin D (English)

7 October 2016

ChEBI ID

66313

mapping relation type

2 references

rostratin D (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C18H20N2O6S4/c21-7-1-9(27)13(23)11-5(7)3-17-15(25)20-12-6(8(22)2-10(28)14(12)24)4-18(20,30-29-17)16(26)19(11)17/h5-6,9-14,23-24,27-28H,1-4H2/t5-,6-,9-,10-,11-,12-,13+,14+,17-,18-/m1/s1

1 reference