input word = C00026631

Metabolite InformationStructural formula
Name Leptosin Q
(-)-Leptosin Q
Formula C33H36N6O7S2
Mw 692.20868901
CAS RN 721960-17-4
C_ID C00026631 ,
InChIKey NNPYEQIXQDOJPG-BVPSOMCTNA-N
InChICode InChI=1S/C33H36N6O7S/c1-16(2)33(47-5)29(45)38-21(23(41)37(33)4)14-30(17-10-6-8-12-19(17)34-26(30)38)31-18-11-7-9-13-20(18)35-27(31)39-24(42)22(15-40)36(3)28(44)32(39,46)25(31)43/h6-14,16,22,25-27,34-35,40,43,46H,15H2,1-5H3/t22-,25-,26+,27-,30-,31+,32-,33-/m0/s1
SMILES c1ccc2c(c1)[C@@]1([C@@H](N2)N2[C@]([C@H]1O)(C(=O)N([C@H](C2=O)CO)C)O)[C@@]12c3c(cccc3)N[C@@H]1N1C(=C2)C(=O)N([C@](C1=O)(SC)C(C)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
FungiPhaeosphaeriaceaeLeptosphaeria sp. Ref.
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