input word = C00057991

Metabolite InformationStructural formula
Name Syzyginin A
Formula C48H34O31
Mw 1106.10840438
CAS RN 185424-92-4
C_ID C00057991
InChIKey HYXQWPAKDBAJLB-YXPCNIMHSA-N
InChICode InChI=1S/C48H34O31/c49-17-1-11(2-18(50)29(17)58)43(68)77-40-39-26(74-48(79-45(70)13-5-21(53)31(60)22(54)6-13)41(40)78-44(69)12-3-19(51)30(59)20(52)4-12)10-73-46(71)14-8-25(57)38(75-37-16(42(66)67)9-24(56)33(62)36(37)65)35(64)28(14)27-15(47(72)76-39)7-23(55)32(61)34(27)63/h1-9,26,39-41,48-65H,10H2,(H,66,67)/t26-,39?,40?,41?,48?/m0/s1
SMILES OC1=C(O)C=C(C(OC2C(OC(C3=CC(O)=C(O)C(O)=C3)=O)C(OC(C4=CC(O)=C(O)C(O)=C4)=O)O[C@@H](COC(C(C=C(O)C(OC5=C(C(O)=O)C=C(O)C(O)=C5O)=C6O)=C6C7=C8C=C(O)C(O)=C7O)=O)C2OC8=O)=O)C=C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeSyzygium aromaticum Ref.
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