input word = C00056398

Metabolite InformationStructural formula
Name Diospyric acid A
Formula C30H44O6
Mw 500.31378914
CAS RN 1055327-63-3
C_ID C00056398
InChIKey YKWCPLVNXDFCGG-WCAYKKAGSA-N
InChICode InChI=1S/C30H44O6/c1-17-9-14-30(24(34)35)16-15-26(3)18(22(30)29(17,6)36)7-8-19-25(2)12-11-21(31)28(5,23(32)33)20(25)10-13-27(19,26)4/h7,19-22,31,36H,1,8-16H2,2-6H3,(H,32,33)(H,34,35)/t19-,20-,21-,22-,25-,26-,27-,28-,29-,30+/m1/s1
SMILES C=C1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEbenaceaeDiospyros kaki Ref.
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