input word = C00016147

Metabolite InformationStructural formula
Name AM 6222A
Stachybocin A
Formula C52H70N2O10
Mw 882.50304647
CAS RN 158827-60-2
C_ID C00016147 ,
InChIKey OWEVPGFDPBONOA-JOXJPVICNA-N
InChICode InChI=1S/C52H70N2O10/c1-27-12-14-38-47(3,4)40(57)16-18-49(38,7)51(27)23-31-36(55)21-29-33(42(31)63-51)25-53(44(29)59)20-10-9-11-35(46(61)62)54-26-34-30(45(54)60)22-37(56)32-24-52(64-43(32)34)28(2)13-15-39-48(5,6)41(58)17-19-50(39,52)8/h21-22,27-28,35,38-41,55-58H,9-20,23-26H2,1-8H3,(H,61,62)/t27-,28-,35+,38+,39+,40-,41-,49+,50+,51-,52-/m1/s1
SMILES C1[C@@H]2[C@@]([C@]3([C@@H](C1)C)Cc1c(O3)c3c(cc1O)C(=O)N(C3)[C@H](C(=O)O)CCCCN1Cc3c(C1=O)cc(c1c3O[C@]3(C1)[C@@H](CC[C@@H]1[C@@]3(CC[C@H](C1(C)C)O)C)C)O)(CC[C@H](C2(C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro Cholesterol
Organism
Kingdom Family Species Reference
--Stachybotrys sp. M6222 Ref.
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