input word = C00047702

Metabolite InformationStructural formula
Name Alangilignoside B
(-)-Alangilignoside B
Formula C27H34O12
Mw 550.20502655
CAS RN 193153-52-5
C_ID C00047702 ,
InChIKey BYBCLBHYKXXHFD-ZDLJBXBQNA-N
InChICode InChI=1S/C27H34O12/c1-34-17-9-14(10-18(35-2)26(17)39-27-23(33)22(32)21(31)19(12-30)38-27)24-15(11-29)20-16(37-24)7-6-13(5-4-8-28)25(20)36-3/h4-7,9-10,15,19,21-24,27-33H,8,11-12H2,1-3H3/b5-4+/t15-,19+,21+,22-,23+,24+,27-/m0/s1
SMILES c1c(cc(c(c1OC)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)OC)[C@H]1Oc2c([C@@H]1CO)c(c(cc2)/C=C/CO)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeScorzonera hispanica Ref.
PlantaeCapparaceaeCapparis flavicans Ref.
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OrganismScorzonera hispanica
ReferenceUchiyama, T. et al., Phytochemistry, 1991, 30, 655-657 (Plucheoside D2)