input word = C00042053

Metabolite InformationStructural formula
Name 15beta-Hydroxycalactin
Formula C29H40O10
Mw 548.2621475
CAS RN 159406-83-4
C_ID C00042053 ,
InChIKey ZABRUXSLNOYHLJ-ZIZQWPJTNA-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](O[C@@H]2[C@]([C@@H]1O)(O[C@H]1[C@H](O2)C[C@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@@]2([C@](CC1)([C@H](C[C@H]2O)C1=CC(=O)OC1)C)O)C=O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAsclepias curassavica Ref.
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