input word = C00016349

Metabolite InformationStructural formula
Name Antibiotic 27C6
Arenaric acid
Formula C41H68O15
Mw 800.4558215
CAS RN 196202-51-4
C_ID C00016349 ,
InChIKey QONCEXQYFKDJCY-JEXGZKQVNA-N
InChICode InChI=1S/C41H68O15/c1-20(25(6)42)17-21(2)33(43)29-14-13-27(52-29)28-15-16-31(53-28)39(8)36(50-11)24(5)41(56-39)22(3)30(48-9)18-26(54-41)19-32-38(7,51-12)35(49-10)23(4)40(47,55-32)34(44)37(45)46/h17,21-24,26-36,43-44,47H,13-16,18-19H2,1-12H3,(H,45,46)/b20-17+/t21-,22+,23-,24+,26-,27+,28-,29+,30+,31+,32-,33-,34-,35-,36+,38+,39-,40-,41-/m0/s1
SMILES CO[C@@H]1[C@@H](C)[C@@]2(O[C@H](C[C@@H]3O[C@](O)([C@@H](O)C(=O)O)[C@@H](C)[C@H](OC)[C@@]3(C)OC)C[C@@H](OC)[C@H]2C)O[C@]1(C)[C@H]1CC[C@@H]([C@H]2CC[C@H]([C@@H](O)[C@@H](C)/C=C(C)C(C)=O)O2)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--EnterobacteriaceaeLeclercia adecarboxylata KP-27C6 Ref.
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