input word = C00058441

Metabolite InformationStructural formula
Name Daphne factor P2
Formula C37H44O10
Mw 648.29344763
CAS RN 71252-72-7
C_ID C00058441
InChIKey WDTQMUHLTIKXFS-JXXNAEBBSA-N
InChICode InChI=1S/C37H44O10/c1-6-7-8-9-10-11-15-18-26(39)43-29-23(5)36-25-19-22(4)28(40)34(25,42)32(41)33(20-38)30(44-33)27(36)31-35(29,21(2)3)46-37(45-31,47-36)24-16-13-12-14-17-24/h8-18,22-23,25,27,29-32,38,41-42H,2,6-7,19-20H2,1,3-5H3/b9-8+,11-10+,18-15+
SMILES C=C(C)C12OC3(c4ccccc4)OC1C1C4OC4(CO)C(O)C4(O)C(=O)C(C)CC4C1(O3)C(C)C2OC(=O)/C=C/C=C/C=C/CCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThymelaeaceaeDaphne papyracea Ref.
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