input word = C00016149

Metabolite InformationStructural formula
Name AM 6222C
Stachybocin C
Formula C52H70N2O11
Mw 898.49796109
CAS RN 158827-62-4
C_ID C00016149 ,
InChIKey GBUQOBUNFQDAQG-RWIXFCKSNA-N
InChICode InChI=1S/C52H70N2O11/c1-26-12-14-38-47(3,4)40(58)16-17-49(38,7)51(26)21-30-36(56)20-29-33(42(30)64-51)25-54(45(29)61)34(46(62)63)11-9-10-18-53-24-32-28(44(53)60)19-35(55)31-22-52(65-41(31)32)27(2)13-15-39-48(5,6)43(59)37(57)23-50(39,52)8/h19-20,26-27,34,37-40,43,55-59H,9-18,21-25H2,1-8H3,(H,62,63)/t26-,27-,34+,37+,38+,39+,40+,43-,49+,50+,51+,52-/m0/s1
SMILES C1[C@H]2[C@]([C@]3([C@H](C1)C)Cc1c(O3)c3c(cc1O)C(=O)N(C3)[C@H](CCCCN1C(=O)c3cc(c4C[C@]5([C@]6([C@H](CC[C@@H]5C)C([C@H]([C@@H](C6)O)O)(C)C)C)Oc4c3C1)O)C(=O)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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