input word = C00057085

Metabolite InformationStructural formula
Name Physagulin F
Formula C30H40O9
Mw 544.26723288
CAS RN 148054-12-0
C_ID C00057085
InChIKey XIINLGCQYPFDPD-GCGXNVHFSA-N
InChICode InChI=1S/C30H40O9/c1-14-12-20(38-25(34)15(14)2)16(3)30-24(39-30)23(37-17(4)31)29(36)19-13-22(33)28(35)10-7-8-21(32)27(28,6)18(19)9-11-26(29,30)5/h7-8,16,18-20,22-24,33,35-36H,9-13H2,1-6H3/t16-,18+,19-,20-,22-,23+,24+,26+,27+,28+,29-,30+/m1/s1
SMILES O=C1[C@@]2(C)[C@]([C@H](O)C[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@]3(O)[C@@H](OC(C)=O)[C@@]5([H])[C@]4([C@H](C)[C@]6([H])OC(C(C)=C(C)C6)=O)O5)(O)CC=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis angulata Ref.
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