input word = C00010739

Metabolite InformationStructural formula
Name Protoplumericin B
Formula C36H42O20
Mw 794.22694379
CAS RN 93343-68-1
C_ID C00010739 ,
InChIKey MZTHHZKTACHLMV-YENXBNNQNA-N
InChICode InChI=1S/C36H42O20/c1-14(51-23(40)6-4-15-3-5-20(19(39)9-15)52-34-29(45)27(43)25(41)21(11-37)53-34)17-10-36(56-32(17)48)8-7-16-18(31(47)49-2)13-50-33(24(16)36)55-35-30(46)28(44)26(42)22(12-38)54-35/h3-10,13-14,16,21-22,24-30,33-35,37-39,41-46H,11-12H2,1-2H3/b6-4+/t14-,16+,21-,22-,24-,25-,26-,27+,28-,29+,30+,33-,34-,35+,36-/m1/s1
SMILES [C@H]12[C@@H]([C@]3(C=C1)OC(=O)C(=C3)[C@@H](C)OC(=O)/C=C/c1cc(c(cc1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)O)[C@H](OC=C2C(=O)OC)O[C@@H]1O[C@@H]([C@H]([C@H]([C@@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAllamanda neriifolia Ref.
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