input word = C00057555

Metabolite InformationStructural formula
Name Physagulin H
Formula C30H38O8
Mw 526.25666819
CAS RN 791084-72-5
C_ID C00057555
InChIKey OZZNUJSEIHDCFJ-UXNBTRKISA-N
InChICode InChI=1S/C30H38O8/c1-14-12-20(36-25(33)15(14)2)16(3)30-24(38-30)23(35-17(4)31)29(34)19-13-22-28(37-22)10-7-8-21(32)27(28,6)18(19)9-11-26(29,30)5/h7-8,16,18-20,22-24,34H,9-13H2,1-6H3/t16-,18+,19-,20-,22-,23+,24+,26+,27+,28-,29-,30+/m1/s1
SMILES CC(=O)O[C@H]1[C@@H]2O[C@]2([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@H]4O[C@]45CC=CC(=O)[C@]35C)[C@@]12O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis angulata Ref.
zoom in