input word = C00016753

Metabolite InformationStructural formula
Name Butyrolactol A
Formula C28H46O9
Mw 526.31418307
CAS RN 145144-32-7
C_ID C00016753 ,
InChIKey YHNIVBVCOOBXOO-UHFFFAOYNA-N
InChICode InChI=1S/C28H46O9/c1-18(16-14-12-10-8-6-5-7-9-11-13-15-17-28(2,3)4)19(29)20(30)21(31)22(32)23(33)26-24(34)25(35)27(36)37-26/h7-14,18-26,29-35H,5-6,15-17H2,1-4H3/b9-7+,10-8-,13-11-,14-12-/t18-,19+,20-,21-,22-,23-,24-,25-,26-/m1/s1
SMILES [C@H]1([C@H]([C@H](OC1=O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@H](C)C/C=C\C=C/CC/C=C/C=C\CCC(C)(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces rochei S785-16 Ref.
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