input word = C00056907

Metabolite InformationStructural formula
Name Perulactone D
Formula C30H46O8
Mw 534.31926845
CAS RN 1186199-97-2
C_ID C00056907
InChIKey JTTNXCPQWKBGNX-LGYDJDRTSA-N
InChICode InChI=1S/C30H46O8/c1-16(31)38-25-14-19(32)12-17-6-7-20-21-8-9-23(27(21,2)11-10-22(20)28(17,25)3)30(5,36)24(33)13-18-15-37-26(34)29(18,4)35/h6,18-25,32-33,35-36H,7-15H2,1-5H3/t18-,19-,20+,21+,22+,23+,24-,25+,27+,28+,29+,30-/m1/s1
SMILES CC(=O)O[C@H]1C[C@H](O)CC2=CC[C@H]3[C@@H]4CC[C@H]([C@@](C)(O)[C@H](O)C[C@@H]5COC(=O)[C@@]5(C)O)[C@@]4(C)CC[C@@H]3[C@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis peruviana Ref.
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