input word = C00040579

Metabolite InformationStructural formula
Name Tubonolide A
(-)-Tubonolide A
Formula C28H39ClO8
Mw 538.23334593
CAS RN 937803-44-6
C_ID C00040579 ,
InChIKey GFPFCWYNJCFMEV-SSJQLJIDNA-N
InChICode InChI=1S/C28H39ClO8/c1-23-8-7-14-13(9-18(29)28(36)20(31)6-5-19(30)26(14,28)4)15(23)10-21(32)27(23,35)16-11-24(2)22(33)37-17(16)12-25(24,3)34/h5-6,13-18,20-21,31-32,34-36H,7-12H2,1-4H3/t13-,14+,15+,16-,17-,18+,20+,21-,23+,24+,25+,26+,27-,28+/m1/s1
SMILES CC12C[C@@H]([C@@]3(O)[C@H](O)C[C@H]4[C@@H]5C[C@H](Cl)[C@]6(O)[C@@H](O)C=CC(=O)[C@]6(C)[C@H]5CC[C@@]43C)C(C[C@]1(C)O)OC2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeTubocapsicum anomalum Ref.
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