input word = C00057558

Metabolite InformationStructural formula
Name Physagulin K
Formula C30H42O9
Mw 546.28288294
CAS RN 791084-75-8
C_ID C00057558
InChIKey URZHQDOZWJFQSH-SXLGBMPDSA-N
InChICode InChI=1S/C30H42O9/c1-15-12-21(39-25(34)16(15)2)17(3)29(36)14-24(38-18(4)31)30(37)20-13-23(33)28(35)10-7-8-22(32)27(28,6)19(20)9-11-26(29,30)5/h7-8,17,19-21,23-24,33,35-37H,9-14H2,1-6H3/t17-,19+,20-,21-,23-,24+,26-,27+,28+,29-,30-/m1/s1
SMILES O[C@@]12[C@]3([H])C[C@@H](O)[C@@]4(O)CC=CC([C@]4(C)[C@@]3([H])CC[C@]1(C)[C@@]([C@H](C)[C@]5([H])OC(C(C)=C(C)C5)=O)(O)C[C@@H]2OC(C)=O)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis angulata Ref.
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