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 C1[C@@H]([C@@]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@]([C@@H](C2)O)(CCC(C1)(C)C)C(=O)O)C)C)C)(C)C=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeSilene jenisseensis Ref.
PlantaeQuillajaceaeQuillaja saponaria Ref.
--Psammosilene tunicoides Ref.
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