input word = C00054531

Metabolite InformationStructural formula
Name Ceracyanin
Formula C27H31O15+
Mw 595.16629532
CAS RN 28338-59-2
C_ID C00054531
InChIKey USNPULRDBDVJAO-CJMRGEILSA-O
InChICode InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19+,20+,21+,22-,23+,24+,26+,27+/m0/s1
SMILES OC1=CC2=[O+]C(C3=CC(O)=C(O)C=C3)=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@H](O4)CO[C@H]5[C@H](O)[C@H](O)[C@H](O)[C@H](C)O5)C=C2C(O)=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePalmaeEuterpe oleracea Ref.
--Prunus Ref.
--Viola Ref.
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