input word = C00039672

Metabolite InformationStructural formula
Name Lyngbyastatin 6
Formula C54H70N8O18S
Mw 1150.45287822
CAS RN 957130-99-3
C_ID C00039672 ,
InChIKey MSJHPEKZCVVYTI-WDCKWYDNNA-N
InChICode InChI=1S/C54H70N8O18S/c1-8-37-47(67)58-39-24-25-43(78-7)62(52(39)72)41(27-33-12-10-9-11-13-33)53(73)61(6)40(26-34-16-21-36(64)22-17-34)49(69)59-44(29(2)3)54(74)80-31(5)45(51(71)56-37)60-48(68)38(23-18-32-14-19-35(63)20-15-32)57-46(66)30(4)55-50(70)42(65)28-79-81(75,76)77/h8-17,19-22,29-31,38-45,63-65H,18,23-28H2,1-7H3,(H,55,70)(H,56,71)(H,57,66)(H,58,67)(H,59,69)(H,60,68)(H,75,76,77)/b37-8-/t30-,31?,38-,39-,40-,41-,42+,43+,44-,45-/m0/s1
SMILES C1C[C@H](N2[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N/C(=C/C)/C(=O)N[C@@H]1C2=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](COS(=O)(=O)O)O)CCc1ccc(cc1)O)C)C(C)C)Cc1ccc(cc1)O)C)Cc1ccccc1)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Lyngbya spp. Ref.
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