input word = C00015576

Metabolite InformationStructural formula
Name IB 96212
Formula C54H94O16
Mw 998.65418696
CAS RN 220858-11-7
C_ID C00015576 ,
InChIKey ZJMNECRCNSUGSV-HTYYBEMLNA-N
InChICode InChI=1S/C54H94O16/c1-12-26-53(65)51(63)31(5)17-15-14-16-18-38(28-32(6)55)20-22-41-34(8)49(36(10)54(69-41)27-25-30(4)48(70-54)33(7)39(56)13-2)67-42(58)23-19-29(3)44(59)35(9)45(60)50(46(61)47(62)52(53)64)68-43-24-21-40(57)37(11)66-43/h14-16,18-19,23,29-41,43-52,55-57,59-65H,12-13,17,20-22,24-28H2,1-11H3/b15-14-,18-16-,23-19+/t29-,30+,31+,32-,33-,34+,35+,36-,37-,38+,39-,40+,41-,43+,44-,45-,46-,47+,48+,49-,50+,51-,52-,53-,54+/m1/s1
SMILES CCCC1(O)C(O)C(C)C/C=CC=C/C(CC(C)O)CCC2OC3(CCC(C)C(C(C)C(O)CC)O3)C(C)C(OC(=O)/C=C/C(C)C(O)C(C)C(O)C(OC3CCC(O)C(C)O3)C(O)C(O)C1O)C2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaMicromonosporaceaeMicromonospora sp. L-25-ES25-008 Ref.
zoom in