input word = C00027060

Metabolite InformationStructural formula
Name Moroidin
Formula C47H66N14O10
Mw 986.50863443
CAS RN 104041-75-0
C_ID C00027060 ,
InChIKey GVGSYAIQVAPVJY-UHFFFAOYNA-N
InChICode InChI=1S/C47H66N14O10/c1-7-23(6)37-44(68)58-36(22(4)5)43(67)57-31-17-27-26-11-10-24(35(21(2)3)38(45(69)59-37)60-41(65)29-12-13-33(62)53-29)15-30(26)55-39(27)61-19-25(52-20-61)16-32(46(70)71)54-34(63)18-51-40(64)28(56-42(31)66)9-8-14-50-47(48)49/h10-11,15,19-23,28-29,31-32,35-38,55H,7-9,12-14,16-18H2,1-6H3,(H,51,64)(H,53,62)(H,54,63)(H,56,66)(H,57,67)(H,58,68)(H,59,69)(H,60,65)(H,70,71)(H4,48,49,50)/t23-,28-,29-,31-,32+,35+,36+,37-,38+/m0/s1
SMILES c12c3C[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](Cc4cn1cn4)C(=O)O)CCCNC(=N)N)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]([C@@H](c1cc([nH]2)c3cc1)C(C)C)NC(=O)[C@@H]1CCC(=O)N1)[C@@H](C)CC)C(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaeCelosia argentea Ref.
PlantaeUrticaceaeLaportea moroides Ref.
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