input word = C00057312

Metabolite InformationStructural formula
Name Schidigeragenin B
Formula C27H40O4
Mw 428.29265977
CAS RN 267003-21-4
C_ID C00057312
InChIKey NTVAFGGHUHTGEK-ZSRPSOFJSA-N
InChICode InChI=1S/C27H40O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h16-22,24,28H,1,5-14H2,2-4H3/t16-,17+,18-,19+,20-,21-,22-,24-,25-,26+,27+/m0/s1
SMILES CC12CC(=O)c3occc3C1CCC13CC(CC(OC4OC(CO)C(O)C(O)C4O)C12)C(O)(CO)C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAgavaceaeYucca schidigera Ref.
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OrganismYucca schidigera
ReferenceMiyakoshi, M. et al., J. Nat. Prod., 2000, 63, 332-338 (Yucca schidigera constits)