input word = C00050085

Metabolite InformationStructural formula
Name Eclalbasaponin V
(-)-Eclalbasaponin V
Formula C36H58O12S
Mw 714.36489805
CAS RN 158511-62-7
C_ID C00050085 ,
InChIKey OWPMWFXYYYMJGZ-POIXCTIBNA-N
InChICode InChI=1S/C36H58O12S/c1-31(2)14-15-36(30(41)42)20(16-31)19-8-9-23-33(5)12-11-25(32(3,4)22(33)10-13-34(23,6)35(19,7)17-24(36)38)47-29-28(48-49(43,44)45)27(40)26(39)21(18-37)46-29/h8,20-29,37-40H,9-18H2,1-7H3,(H,41,42)(H,43,44,45)/t20-,21+,22-,23+,24+,25-,26+,27-,28+,29-,33-,34+,35+,36+/m0/s1
SMILES CC1(C)CC[C@]2(C(=O)O)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6OS(=O)(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEclipta prostrata Ref.
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