input word = C00056906

Metabolite InformationStructural formula
Name Perulactone C
Formula C30H46O8
Mw 534.31926845
CAS RN 1186199-96-1
C_ID C00056906
InChIKey JTTNXCPQWKBGNX-PKZWWPHUSA-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 C[C@@]12[C@](CC[C@]2([H])[C@]([C@H](O)C[C@H]3[C@@](C)(O)C(OC3)=O)(O)C)([H])[C@]4([H])CC=C5C[C@@H](O)C[C@H](OC(C)=O)[C@]5(C)[C@@]4([H])CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis peruviana Ref.
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OrganismPhysalis peruviana
ReferenceGottlieb, H.E. et al., JCS Perkin 1, 1980, 2700-2704 (Perulactone)