input word = C00042624

Metabolite InformationStructural formula
Name Ipomoeassin D
(-)-Ipomoeassin D
Formula C44H60O7
Mw 700.43390427
CAS RN 850894-54-1
C_ID C00042624 ,
InChIKey RGCFRCYTLQGODZ-ZVYGYBCVNA-N
InChICode InChI=1S/C44H60O17/c1-7-15-30-18-13-10-14-19-32(55-27(5)45)31(47)21-23-34(48)53-24-33-39(59-35(49)22-20-29-16-11-9-12-17-29)40(60-42(52)25(3)8-2)37(51)43(58-33)61-41-36(50)38(56-28(6)46)26(4)54-44(41)57-30/h8-9,11-12,16-17,20,22,26,30,32-33,36-41,43-44,50-51H,7,10,13-15,18-19,21,23-24H2,1-6H3/b22-20+,25-8+/t26-,30+,32+,33-,36+,37-,38+,39+,40-,41-,43+,44+/m1/s1
SMILES C/C=C(C)C(=O)O[C@@H]1[C@@H](O)[C@@H]2O[C@H]3[C@H](O[C@@H](CCC)CCCCC[C@H](OC(C)=O)C(=O)CCC(=O)OC[C@@H](O2)[C@H]1OC(=O)/C=C/c1ccccc1)O[C@H](C)[C@H](OC(C)=O)[C@@H]3O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeIpomoea squamosa Ref.
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OrganismIpomoea squamosa
ReferenceCao,J.Nat.Prod.,68,(2005),487