input word = C00045323

Metabolite InformationStructural formula
Name Integristerone A 25-acetate
Formula C29H46O9
Mw 538.31418307
CAS RN 269739-15-3
C_ID C00045323 ,
InChIKey QMXDANIONYZQEX-RCPMHTQDNA-N
InChICode InChI=1S/C29H46O9/c1-15(30)38-25(2,3)10-9-22(33)28(6,36)21-8-12-29(37)17-13-19(31)18-14-20(32)23(34)24(35)27(18,5)16(17)7-11-26(21,29)4/h13,16,18,20-24,32-37H,7-12,14H2,1-6H3/t16-,18-,20+,21-,22+,23+,24+,26+,27+,28+,29+/m0/s1
SMILES CC(=O)OC(C)(C)CC[C@@H](O)[C@](C)(O)[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
AnimaliaZoanthidaeZoanthus sp. Ref.
zoom in