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 O[C@@]12[C@]3([H])C[C@]4([H])[C@]5(O4)CC=CC([C@]5(C)[C@@]3([H])CC[C@]1(C)[C@](O6)([C@H](C)[C@]7([H])OC(C(C)=C(C)C7)=O)[C@]6([H])[C@@H]2OC(C)=O)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis angulata Ref.
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