input word = C00030593

Metabolite InformationStructural formula
Name Kansuiphorin B
Formula C54H90O10
Mw 898.65339909
CAS RN 135928-39-1
C_ID C00030593 ,
InChIKey DQVMDPSQAAGKSN-UHFFFAOYNA-N
InChICode InChI=1S/C54H90O10/c1-10-12-14-16-18-20-21-22-23-25-26-28-30-32-41(55)61-36-52-47(64-52)43-44-50(8,9)53(44,63-42(56)33-31-29-27-24-19-17-15-13-11-2)35-39(6)51(45(43)57)34-38(5)46(54(51,60)49(52)59)62-48(58)40(7)37(3)4/h34,37,39-40,43-44,46-47,49,59-60H,10-33,35-36H2,1-9H3/t39-,40+,43-,44+,46-,47+,49+,51+,52+,53-,54+/m1/s1
SMILES C1(=O)[C@@]23[C@@]([C@H]([C@@]4([C@H]([C@@H]1[C@@H]1[C@](C[C@H]2C)(C1(C)C)OC(=O)CCCCCCCCCCC)O4)COC(=O)CCCCCCCCCCCCCCC)O)([C@@H](C(=C3)C)OC(=O)[C@@H](C)C(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeEuphorbia kansui Ref.
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OrganismEuphorbia kansui
ReferenceItokawa,J.Nat.Med.,62,(2008),263