input word = C00031724

Metabolite InformationStructural formula
Name Deacetyltanghinin
Formula C30H44O9
Mw 548.298533
CAS RN 4589-95-1
C_ID C00031724 ,
InChIKey LVGNJQMAMYJAIL-HJJOZBLFNA-N
InChICode InChI=1S/C30H44O9/c1-15-23(32)25(35-4)24(33)26(37-15)38-18-5-8-27(2)17(12-18)13-21-30(39-21)20(27)7-9-28(3)19(6-10-29(28,30)34)16-11-22(31)36-14-16/h11,15,17-21,23-26,32-34H,5-10,12-14H2,1-4H3/t15-,17-,18-,19+,20+,21-,23-,24-,25+,26-,27-,28+,29+,30+/m0/s1
SMILES C1[C@@H](C[C@@H]2[C@](C1)([C@@H]1[C@@]3([C@H](C2)O3)[C@@]2([C@](CC1)([C@H](CC2)C1=CC(=O)OC1)C)O)C)O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)OC)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCerbera manghas L. Ref.
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