input word = C00003546

Metabolite InformationStructural formula
Name Quillaic acid
Formula C30H46O5
Mw 486.33452458
CAS RN 631-01-6
C_ID C00003546 ,
InChIKey MQUFAARYGOUYEV-BJCVCYKENA-N
InChICode InChI=1S/C30H46O5/c1-25(2)13-14-30(24(34)35)19(15-25)18-7-8-21-26(3)11-10-22(32)27(4,17-31)20(26)9-12-28(21,5)29(18,6)16-23(30)33/h7,17,19-23,32-33H,8-16H2,1-6H3,(H,34,35)/t19-,20+,21+,22-,23+,26-,27-,28+,29+,30+/m0/s1
SMILES CC1(C)CC[C@]2(C(=O)O)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(C=O)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeSilene jenisseensis Ref.
PlantaeQuillajaceaeQuillaja saponaria Ref.
--Psammosilene tunicoides Ref.
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