input word = C00003608

Metabolite InformationStructural formula
Name Calactin
Formula C29H40O9
Mw 532.26723288
CAS RN 20304-47-6
C_ID C00003608 ,
InChIKey OWPWFVVPBYFKBG-IYFKSFNBNA-N
InChICode InChI=1S/C29H40O9/c1-15-9-23(31)29(34)25(36-15)37-21-11-17-3-4-20-19(27(17,14-30)12-22(21)38-29)5-7-26(2)18(6-8-28(20,26)33)16-10-24(32)35-13-16/h10,14-15,17-23,25,31,33-34H,3-9,11-13H2,1-2H3/t15-,17+,18-,19+,20-,21-,22-,23-,25+,26-,27-,28+,29+/m1/s1
SMILES [C@H]12[C@@H](C[C@H]3[C@](C1)([C@@H]1[C@@H](CC3)[C@@]3([C@](CC1)([C@H](CC3)C1=CC(=O)OC1)C)O)C=O)O[C@H]1[C@@](O2)([C@@H](C[C@H](O1)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAsclepias curassavica Ref.
PlantaeApocynaceaeAsclepias fruticosa R.Br. Ref.
PlantaeApocynaceaeCalotropis gigantea Ref.
PlantaeApocynaceaeCalotropis procera Ref.
PlantaeApocynaceaePergularia tomentosa Ref.
--Danaus plexippus Ref.
--Pekilocerus bufonius Ref.
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