input word = C00016754

Metabolite InformationStructural formula
Name Butyrolactol B
Formula C27H44O9
Mw 512.298533
CAS RN 145144-33-8
C_ID C00016754 ,
InChIKey QOXADYBJIYSAHC-UHFFFAOYNA-N
InChICode InChI=1S/C27H44O9/c1-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18(3)19(28)20(29)21(30)22(31)23(32)26-24(33)25(34)27(35)36-26/h5,7-12,14,17-26,28-34H,4,6,13,15-16H2,1-3H3/b7-5+,10-8+,11-9+,14-12-/t18-,19+,20-,21-,22+,23+,24+,25+,26+/m0/s1
SMILES CC(C)CCC=CC=CCCC=CC=CCC(C)C(O)C(O)C(O)C(O)C(O)C1OC(=O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces rochei S785-16 Ref.
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