input word = C00037808

Metabolite InformationStructural formula
Name Segetene B
(-)-Segetene B
Formula C37H44O14
Mw 712.27310612
CAS RN 403653-07-6
C_ID C00037808 ,
InChIKey YCIDDPJVGRDZIM-IULAFNQHNA-N
InChICode InChI=1S/C37H44O14/c1-18-14-36(45)27(28(18)50-31(44)23-12-10-9-11-13-23)30(49-26(42)17-46-19(2)38)37(51-22(5)41)15-24-25(16-34(6,7)29(24)43)35(8,32(36)47-20(3)39)33(37)48-21(4)40/h9-13,18,27-28,30,32-33,45H,14-17H2,1-8H3/t18-,27+,28-,30+,32+,33-,35+,36+,37+/m0/s1
SMILES CC(=O)OCC(=O)O[C@@H]1[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]2(O)[C@H](OC(C)=O)[C@@]2(C)C3=C(C[C@]1(OC(C)=O)C2OC(C)=O)C(=O)C(C)(C)C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeEuphorbia paralias Ref.
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