input word = C00047984

Metabolite InformationStructural formula
Name Lyngbyazothrin C
Formula C74H109N13O22
Mw 1531.78101226
CAS RN 1182344-89-3
C_ID C00047984 ,
InChIKey JLVRVQLIHXTYHF-CINPZERVNA-N
InChICode InChI=1S/C74H109N13O22/c1-10-40(5)61-69(102)81-52(38-88)66(99)77-48(11-2)65(98)83-62(41(6)89)70(103)79-50(27-22-43-20-25-47(108-9)26-21-43)72(105)86-31-12-15-53(86)67(100)80-51(35-46(92)36-58(57(93)33-39(3)4)109-74(107)56(84(8)42(7)90)34-44-18-23-45(91)24-19-44)63(96)71(104)78-49(28-29-59(75)94)64(97)76-37-60(95)85-30-14-17-55(85)73(106)87-32-13-16-54(87)68(101)82-61/h11,18-21,23-26,39-41,46,49-58,61-63,88-89,91-93,96H,10,12-17,22,27-38H2,1-9H3,(H2,75,94)(H,76,97)(H,77,99)(H,78,104)(H,79,103)(H,80,100)(H,81,102)(H,82,101)(H,83,98)/b48-11+/t40-,41+,46+,49+,50-,51+,52-,53-,54-,55-,56-,57-,58-,61+,62-,63-/m0/s1
SMILES N12[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N/C(=C/C)/C(=O)N[C@H](C(=O)N[C@H](C(=O)N3[C@H](C(=O)N[C@@H]([C@@H](C(=O)N[C@@H](C(=O)NCC(=O)N4[C@H](C1=O)CCC4)CCC(=O)N)O)C[C@@H](O)C[C@H](OC(=O)[C@@H](N(C(=O)C)C)Cc1ccc(cc1)O)[C@@H](O)CC(C)C)CCC3)CCc1ccc(cc1)OC)[C@@H](C)O)CO)[C@@H](C)CC)CCC2
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
--Lyngbya sp. 36.91 Ref.
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