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 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](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@@]12O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis angulata Ref.
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OrganismPhysalis angulata
ReferenceShingu, K. et al., Chem. Pharm. Bull., 1992, 40, 2448-2451 (Physagulins E-G)