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Compounds

COMPOUND NPA000565

STRUCTURE
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PROPERTIES
NPAID NPA000565
CLUSTER ID 279
NODE ID 253
NAME Leptosin M1
FORMULA C33H36N6O8S2
MOLECULAR WEIGHT (Da) 708.8190
ACCURATE MASS (Da) 708.2036
ORIGIN ORGANISM TYPE Fungus
ORIGIN GENUS Leptosphaeria
ORIGIN SPECIES sp.
InChIKey ZVARQDQPESZGQS-WVTADRBTSA-N
InChI InChI=1S/C33H36N6O8S2/c1-15(2)32-28(46)39-25-30(17-11-7-9-13-19(17)35-25,23(43)33(39,49-48-32)27(45)37(32)4)29-16-10-6-8-12-18(16)34-24(29)38-21(41)20(14-40)36(3)26(44)31(38,47-5)22(29)42/h6-13,15,20,22-25,34-35,40,42-43H,14H2,1-5H3/t20-,22-,23-,24-,25+,29-,30+,31-,32-,33-/m0/s1
SMILES CC(C)[C@]12C(=O)N3[C@@H]4[C@]([C@@H]([C@@]3(C(=O)N1C)SS2)O)(C5=CC=CC=C5N4)[C@@]67[C@@H]([C@@]8(C(=O)N([C@H](C(=O)N8[C@@H]6NC9=CC=CC=C79)CO)C)OC)O
ORIGINAL ISOLATION REFERENCE
CITATION Yamada, Takeshi; Iwamoto, Chika; Yamagaki, Naoko; Yamanouchi, Takako; Minoura, Katsuhiko; Yamori, Takao; Uehara, Yoshimasa; Andoh, Toshiwo; Umemura, Ken; Numata, Atsushi Leptosins M-N1, cytotoxic metabolites from a Leptosphaeria species separated from a marine alga. Structure determination and biological activities Tetrahedron 2002 58 (3) 479-487.
DOI 10.1016/s0040-4020(01)01170-x PMID -
ORIGINAL ISOLATION TAXONOMY
RANK NAME DB LINK NCBI
Domain Eukarya - 2759
Kingdom Fungi MycoBank 4751
Phylum Ascomycota MycoBank 4890
Class Dothideomycetes MycoBank 147541
Order Pleosporales MycoBank 92860
Family Leptosphaeriaceae MycoBank 34374
Genus Leptosphaeria MycoBank 5021
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