input word = C00028305

Metabolite InformationStructural formula
Name Glabrin B
Formula C38H58N8O11S
Mw 834.39457548
CAS RN 209669-95-4
C_ID C00028305 ,
InChIKey RQTQLHLAHGKXJH-NKFNIZAINA-N
InChICode InChI=1S/C38H58N8O11S/c1-19(2)29-36(54)40-21(5)32(50)44-30(20(3)4)37(55)42-26(17-23-10-12-24(48)13-11-23)33(51)39-18-28(49)43-31(22(6)47)38(56)46-15-8-9-27(46)35(53)41-25(34(52)45-29)14-16-58(7)57/h10-13,19-22,25-27,29-31,47-48H,8-9,14-18H2,1-7H3,(H,39,51)(H,40,54)(H,41,53)(H,42,55)(H,43,49)(H,44,50)(H,45,52)/t21-,22+,25-,26+,27-,29-,30-,31-,58+/m0/s1
SMILES [C@H]1(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)CNC(=O)[C@H](NC1=O)Cc1ccc(cc1)O)[C@@H](C)O)CCC2)CC[S@](=O)C)C(C)C)C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona glabra Ref.
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