input word = C00003739

Metabolite InformationStructural formula
Name Asiatic acid
Formula C30H48O5
Mw 488.35017464
CAS RN 464-92-6
C_ID C00003739 ,
InChIKey JXSVIVRDWWRQRT-SMVXTDQBNA-N
InChICode InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24+,26+,27+,28-,29-,30+/m1/s1
SMILES [C@@H]1([C@@H]([C@@]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CC[C@H]([C@@H]1C)C)C(=O)O)C)C)C)(C)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeCentella asiatica Ref.
PlantaeDipterocarpaceaeShorea spp. Ref.
PlantaeLabiataeRosmarinus officinalis Ref.
PlantaeLythraceaePunica granatum LINN. Ref.
PlantaeMyrtaceaeEugenia crebrinervis Ref.
PlantaeMyrtaceaeEugenia gustavioides Ref.
PlantaeMyrtaceaePsidium guajava Ref.
zoom in