input word = C00030448

Metabolite InformationStructural formula
Name Gypsogenic acid
Astrantiagenin J
Formula C30H46O5
Mw 486.33452458
CAS RN 5143-05-5
C_ID C00030448 ,
InChIKey PAIBKVQNJKUVCE-CTXGCHAANA-N
InChICode InChI=1S/C30H46O5/c1-25(2)13-15-30(24(34)35)16-14-27(4)18(19(30)17-25)7-8-20-26(3)11-10-22(31)29(6,23(32)33)21(26)9-12-28(20,27)5/h7,19-22,31H,8-17H2,1-6H3,(H,32,33)(H,34,35)/t19-,20+,21+,22-,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@@](CC2)(CCC(C1)(C)C)C(=O)O)C)C)C)(C)C(=O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAcanthopanax japonicus Ref.
PlantaeFabaceaeMedicago truncatula Ref.
PlantaeSaxifragaceaeAceriphyllum rossii Ref.
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