input word = C00048430

Metabolite InformationStructural formula
Name Integristerone A 20,22-acetonide
Formula C30H48O8
Mw 536.33491851
CAS RN 245323-25-5
C_ID C00048430 ,
InChIKey HJVDUXDOWYFHPW-JLRFTKNHNA-N
InChICode InChI=1S/C30H48O8/c1-25(2,35)11-10-22-29(7,38-26(3,4)37-22)21-9-13-30(36)17-14-19(31)18-15-20(32)23(33)24(34)28(18,6)16(17)8-12-27(21,30)5/h14,16,18,20-24,32-36H,8-13,15H2,1-7H3/t16-,18-,20+,21-,22+,23+,24+,27+,28+,29+,30+/m0/s1
SMILES CC(C)(O)CC[C@H]1OC(C)(C)O[C@]1(C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)[C@@H](O)[C@]4(C)[C@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeRhaponticum carthamoides Ref.
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