input word = C00050564

Metabolite InformationStructural formula
Name Convallamarin
Formula C44H70O19
Mw 902.45113006
CAS RN 1391-12-4
C_ID C00050564
InChIKey YIVJHIINQZUPTD-JZJUYLCRSA-N
InChICode InChI=1S/C30H28O11/c1-14-9-17-11-19(12-21(33)25(17)29-24(14)20(32)10-15(2)39-29)40-30-28(37)27(36)26(35)22(41-30)13-38-23(34)8-5-16-3-6-18(31)7-4-16/h3-12,22,26-28,30-31,33,35-37H,13H2,1-2H3/b8-5+/t22-,26-,27+,28-,30-/m1/s1
SMILES C=C(CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O[C@@H]6O[C@H](C)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H]6O)C[C@@H](O[C@@H]6O[C@H](C)[C@@H](O[C@@H]7O[C@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@@H](O)[C@H]6O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvallariaceaeConvallaria keiskei Ref.
PlantaeConvallariaceaeConvallaria majalis Ref.
PlantaeConvallariaceaePolygonatum odoratum Ref.
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