(Q27134854)

CHEBI:66311 (English)

(1R,4S,5S,9S,11R,14S,15S,19S)-5,15-dihydroxy-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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₈H₂₀N₂O₆S₂

1 reference

CHEBI:66311 (English)

7 October 2016

canonical SMILES

C1CC(=O)C2CC34C(=O)N5C6C(CCC(=O)C6CC5(C(=O)N3C2C1O)SS4)O

1 reference

CHEBI:66311 (English)

7 October 2016

isomeric SMILES

C1CC(=O)[C@H]2C[C@@]34C(=O)N5[C@H]6[C@H](CCC(=O)[C@H]6C[C@]5(C(=O)N3[C@H]2[C@H]1O)SS4)O

1 reference

CHEBI:66311 (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

2 references

stated in

stated in

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

Identifiers

InChI

InChI=1S/C18H20N2O6S2/c21-9-1-3-11(23)13-7(9)5-17-15(25)20-14-8(10(22)2-4-12(14)24)6-18(20,28-27-17)16(26)19(13)17/h7-8,11-14,23-24H,1-6H2/t7-,8-,11+,12+,13-,14-,17-,18-/m1/s1

1 reference

CHEBI:66311 (English)

ICKHXBRXCAORGF-ZJNFRVSGSA-N

7 October 2016

InChIKey

2 references

CHEBI:66311 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

rostratin B (English)

7 October 2016

2 references

CHEBI:66311 (English)

matched by identifier from

7 October 2016

InChIKey

ICKHXBRXCAORGF-ZJNFRVSGSA-N

Reaxys registry number

10736174

1 reference

rostratin B (English)

7 October 2016

ChEBI ID

66311

mapping relation type

2 references

rostratin B (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C18H20N2O6S2/c21-9-1-3-11(23)13-7(9)5-17-15(25)20-14-8(10(22)2-4-12(14)24)6-18(20,28-27-17)16(26)19(13)17/h7-8,11-14,23-24H,1-6H2/t7-,8-,11+,12+,13-,14-,17-,18-/m1/s1

1 reference