input word = C00040339

Metabolite InformationStructural formula
Name Spathodic acid
Formula C30H48O5
Mw 488.35017464
CAS RN 132194-34-4
C_ID C00040339 ,
InChIKey TUOYZAJHBIXONX-KDQNKSBWNA-N
InChICode InChI=1S/C30H48O5/c1-25(2)13-15-30(24(34)35)16-14-28(5)18(22(30)23(25)33)7-8-20-26(3)11-10-21(32)27(4,17-31)19(26)9-12-29(20,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20-,21+,22-,23+,26+,27-,28-,29-,30+/m1/s1
SMILES [C@@H]1([C@@H]2[C@](CCC1(C)C)(CC[C@@]1(C2=CC[C@H]2[C@]1(CC[C@@H]1[C@@]2(CC[C@@H]([C@@]1(CO)C)O)C)C)C)C(=O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEbenaceaeDiospyros kaki Ref.
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