input word = C00030971

Metabolite InformationStructural formula
Name Petasiphyll A
Formula C37H38N4O7
Mw 650.2740496
CAS RN 25136-93-0
C_ID C00030971 ,
InChIKey UZEGRYXXMBFPCX-YFAPNGNCNA-N
InChICode InChI=1S/C37H38N4O7/c1-9-20-17(3)24-13-25-18(4)22(11-12-30(43)46-6)33(40-25)32-34-31(35(44)37(32,48-8)36(45)47-7)19(5)26(41-34)14-28-21(10-2)23(16-42)29(39-28)15-27(20)38-24/h9,13-16,18,22,38,41H,1,10-12H2,2-8H3/b24-13-,25-13-,26-14-,27-15-,28-14-,29-15-,33-32+/t18-,22-,37+/m1/s1
SMILES C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C=O)=C6CC)c(C)c5C(=O)C4(OC)C(=O)OC)C(CCC(=O)OC)C3C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePetasites formosanus KITAMURA Ref.
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