input word = C00041246

Metabolite InformationStructural formula
Name 15beta-Hydroxycalotropin
Formula C29H40O10
Mw 548.2621475
CAS RN 152270-96-7
C_ID C00041246 ,
InChIKey ZABRUXSLNOYHLJ-DVWTUPHMNA-N
InChICode InChI=1S/C29H40O10/c1-14-7-23(32)29(35)25(37-14)38-20-9-16-3-4-18-17(27(16,13-30)11-21(20)39-29)5-6-26(2)19(10-22(31)28(18,26)34)15-8-24(33)36-12-15/h8,13-14,16-23,25,31-32,34-35H,3-7,9-12H2,1-2H3/t14-,16+,17+,18-,19-,20-,21-,22-,23+,25+,26-,27-,28-,29+/m1/s1
SMILES C1[C@H]2[C@H]([C@@]3([C@@](C1)(C)[C@H](C[C@H]3O)C1=CC(=O)OC1)O)CC[C@@H]1[C@@]2(C[C@@H]2[C@@H](C1)O[C@H]1[C@@](O2)([C@H](C[C@H](O1)C)O)O)C=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAsclepias curassavica Ref.
PlantaeApocynaceaeCalotropis gigantea Ref.
PlantaeApocynaceaeGomphocarpus sinaicus Boiss Ref.
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