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 [C@@H]1([C@@H]([C@@]([C@@H](O[C@@]1([C@H](C(=O)O)O)O)C[C@H]1O[C@]2([C@@H]([C@@H](C1)OC)C)[C@@H]([C@H]([C@](O2)(C)[C@@H]1O[C@@H](CC1)[C@H]1CC[C@@H](O1)[C@@H](O)[C@@H](C)/C=C(\C)/C(=O)C)OC)C)(OC)C)OC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--EnterobacteriaceaeLeclercia adecarboxylata KP-27C6 Ref.
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