input word = C00030888

Metabolite InformationStructural formula
Name Operculin VII
Formula C68H120O25
Mw 1336.81186939
CAS RN 133019-98-4
C_ID C00030888 ,
InChIKey SNOPFOASRYQPCY-UHFFFAOYNA-N
InChICode InChI=1S/C68H120O25/c1-8-11-14-16-18-19-23-27-33-38-48(72)89-63-62(93-65-54(78)51(75)50(74)45(39-69)86-65)59(91-64-55(79)53(77)57(41(5)82-64)87-46(70)36-31-26-21-17-15-12-9-2)43(7)84-68(63)90-58-42(6)83-67-61(56(58)80)88-47(71)37-32-28-24-20-22-25-30-35-44(34-29-13-10-3)85-66-60(92-67)52(76)49(73)40(4)81-66/h40-45,49-69,73-80H,8-39H2,1-7H3/t40-,41+,42+,43+,44+,45-,49-,50+,51+,52+,53-,54+,55-,56+,57?,58+,59+,60-,61-,62+,63+,64+,65-,66-,67+,68-/m1/s1
SMILES CCCCCCCCCCCC(=O)OC1C(OC2C(C)OC3OC4C(OC(CCCCC)CCCCCCCCCC(=O)OC3C2O)OC(C)C(O)C4O)OC(C)C(OC2OC(C)C(OC(=O)CCCCCCCCC)C(O)C2O)C1OC1OC(CO)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeIpomoea batatas Ref.
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