input word = C00018636

Metabolite InformationStructural formula
Name Antibiotic CI 940
Antibiotic CL 1957A
CI 940
Elactocin
Leptomycin B
Mantuamycin
Formula C33H48O6
Mw 540.34508926
CAS RN 87081-35-4
C_ID C00018636 ,
InChIKey YACHGFWEQXFSBS-NJENXPDENA-N
InChICode InChI=1S/C33H48O6/c1-9-28(14-15-29-24(5)13-16-31(36)39-29)19-22(3)12-10-11-21(2)17-25(6)32(37)27(8)33(38)26(7)18-23(4)20-30(34)35/h10-11,13-17,19-20,22,24-27,29,33,38H,9,12,18H2,1-8H3,(H,34,35)/b11-10+,15-14+,21-17+,23-20+,28-19-/t22-,24+,25-,26+,27-,29+,33-/m1/s1
SMILES C1=C[C@@H]([C@@H](OC1=O)/C=C/C(=C\[C@H](C)C/C=C/C(=C/[C@H](C(=O)[C@H]([C@@H]([C@H](C/C(=C/C(=O)O)/C)C)O)C)C)/C)/CC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Actinomycete ATCC 39366 Ref.
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